Oxitriptan

Oxitriptan

SCHEMBL29189796

N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O.O.O

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Oxitriptan. 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
HTR2C known ✓ P28335 5/20 0.97
HTR1A known ✓ P08908 4/20 0.97
HTR2A known ✓ P28223 4/20 0.97
HTR2B known ✓ P41595 4/20 0.97
HTR7 known ✓ P34969 2/20 0.97
ADORA3 known ✓ P0DMS8 1/20 0.97
SLC6A4 known ✓ P31645 1/20 0.97
MEN1 known ✓ O00255 2/20 0.66
HTR1D known ✓ P28221 2/20 0.66
HTR1B known ✓ P28222 2/20 0.66
HTR3E known ✓ A5X5Y0 1/20 0.55
HTR3B known ✓ O95264 1/20 0.55
HTR1E known ✓ P28566 1/20 0.55
HTR1F known ✓ P30939 1/20 0.55
DRD3 known ✓ P35462 1/20 0.55
HTR3A known ✓ P46098 1/20 0.55
HTR5A known ✓ P47898 1/20 0.55
HTR6 known ✓ P50406 1/20 0.55
HTR4 known ✓ Q13639 1/20 0.55
HTR3D known ✓ Q70Z44 1/20 0.55

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
Oxitriptan SCHEMBL29189812 1.00 NPSR1 (0.97) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL29189800 1.00 NPSR1 (0.97) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL29189810 1.00 NPSR1 (0.97) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL19871232 0.99 NPSR1 (1.00) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL21114382 0.99 NPSR1 (1.00) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL1421238 0.99 NPSR1 (1.00) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL3033706 0.99 NPSR1 (1.00) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL43242 0.99 NPSR1 (1.00) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL21114383 0.99 NPSR1 (1.00) NPSR1HTR2CTSHRBLMLMNA
Oxitriptan SCHEMBL29498813 0.99 NPSR1 (1.00) NPSR1HTR2CTSHRBLMLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117720454-A 5-hydroxytryptophan dihydrate crystal and preparation method and application thereof 伊犁川宁生物技术股份有限公司 2024-03-19 CN claimed
CN-119899144-A 5-Hydroxytryptophan crystal form and preparation method and application thereof 伊犁川宁生物技术股份有限公司 2025-04-29 CN disclosed
CN-117720454-A 5-hydroxytryptophan dihydrate crystal and preparation method and application thereof 伊犁川宁生物技术股份有限公司 2024-03-19 CN disclosed
CN-117720454-A 5-hydroxytryptophan dihydrate crystal and preparation method and application thereof 伊犁川宁生物技术股份有限公司 2024-03-19 CN disclosed
CN-117720454-A 5-hydroxytryptophan dihydrate crystal and preparation method and application thereof 伊犁川宁生物技术股份有限公司 2024-03-19 CN disclosed