Octopamine

Octopamine

SCHEMBL30782000

Cl.NC[C@H](O)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Octopamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A known ✓ P46098 1/20 0.95
ADRB2 known ✓ P07550 2/20 0.57
ADRB1 known ✓ P08588 2/20 0.57
ADRA2A known ✓ P08913 2/20 0.57
ADRA2B known ✓ P18089 2/20 0.57
ADRA2C known ✓ P18825 2/20 0.57
ADRA1D known ✓ P25100 2/20 0.57
ADRB3 known ✓ P13945 1/20 0.57
DRD2 known ✓ P14416 1/20 0.57
DRD1 known ✓ P21728 1/20 0.57
ADRA1A known ✓ P35348 1/20 0.57
PTGS2 known ✓ P35354 1/20 0.57
ADRA1B known ✓ P35368 1/20 0.57
HTR1A known ✓ P08908 1/20 0.52
SLC6A2 known ✓ P23975 1/20 0.44
DRD3 known ✓ P35462 1/20 0.44
TDP1 Q9NUW8 5/20 1.00
KDM4E B2RXH2 5/20 1.00
APEX1 P27695 3/20 1.00
ALOX15 P16050 1/20 1.00

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Octopamine SCHEMBL1168914 1.00 TDP1 (1.00) TDP1KDM4EAPEX1ALOX15TAAR1
Octopamine SCHEMBL3489184 0.98 TAAR1 (1.00) TDP1KDM4EAPEX1ALOX15TAAR1
Octopamine SCHEMBL22605 0.98 TAAR1 (1.00) TDP1KDM4EAPEX1ALOX15TAAR1
Octopamine SCHEMBL1650462 0.98 TAAR1 (1.00) TDP1KDM4EAPEX1ALOX15TAAR1
Octopamine SCHEMBL5458985 0.95 TAAR1 (0.95) TDP1KDM4EAPEX1ALOX15TAAR1
Octopamine SCHEMBL4282037 0.95 TAAR1 (0.95) TDP1KDM4EAPEX1ALOX15TAAR1
Octopamine SCHEMBL17688531 0.95 TAAR1 (0.95) TDP1KDM4EAPEX1ALOX15TAAR1
Octopamine SCHEMBL9125963 0.93 TAAR1 (0.91) TDP1KDM4EAPEX1ALOX15TAAR1
Octopamine SCHEMBL8419660 0.89 TAAR1 (0.83) TDP1KDM4EAPEX1ALOX15TAAR1
Octopamine SCHEMBL25250966 0.87 TAAR1 (0.80) TDP1KDM4EAPEX1ALOX15TAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119768510-A Methods and compositions for producing hematopoietic endothelial cells from pluripotent stem cells 特雷尔赫德生物系统股份有限公司 2025-04-04 CN claimed
EP-4577641-A1 METHODS AND COMPOSITIONS FOR GENERATING HEMOGENIC ENDOTHELIAL CELLS FROM PLURIPOTENT STEM CELLS Trailhead Biosystems Inc. (US) 2025-07-02 EP disclosed
CN-119768510-A Methods and compositions for producing hematopoietic endothelial cells from pluripotent stem cells 特雷尔赫德生物系统股份有限公司 2025-04-04 CN disclosed
WO-2024044347-A1 METHODS AND COMPOSITIONS FOR GENERATING HEMOGENIC ENDOTHELIAL CELLS FROM PLURIPOTENT STEM CELLS TRAILHEAD BIOSYSTEMS INC. (US) 2024-02-29 WO disclosed