Benzylamine

Benzylamine

SCHEMBL20915046

N.N.NCc1ccccc1.O.O.O

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Benzylamine. 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
HTR2A known ✓ P28223 1/20 0.52
SLC6A2 known ✓ P23975 2/20 0.46
SLC6A4 known ✓ P31645 1/20 0.46
SLC6A3 known ✓ Q01959 1/20 0.46
SIGMAR1 known ✓ Q99720 1/20 0.46
ADORA2A known ✓ P29274 1/20 0.46
ADORA1 known ✓ P30542 1/20 0.46
LOXL2 Q9Y4K0 5/20 0.88
TAAR1 Q96RJ0 4/20 0.62
CYP2A6 P11509 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAOB P27338 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
PNMT P11086 1/20 0.50
ENPP2 Q13822 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50

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
Benzylamine SCHEMBL10738292 0.97 LOXL2 (0.93) LOXL2TAAR1CYP2A6HTR2ASMN1; SMN2
Benzylamine SCHEMBL27732002 0.97 LOXL2 (0.93) LOXL2TAAR1CYP2A6HTR2ASMN1; SMN2
Benzylamine SCHEMBL27456602 0.97 LOXL2 (0.93) LOXL2TAAR1CYP2A6HTR2ASMN1; SMN2
Benzylamine SCHEMBL1245462 0.97
Benzylamine SCHEMBL537559 0.97
Benzylamine SCHEMBL23044734 0.97 LOXL2 (0.93) LOXL2TAAR1CYP2A6HTR2ASMN1; SMN2
Benzylamine SCHEMBL8645055 0.97 LOXL2 (0.93) LOXL2TAAR1CYP2A6HTR2ASMN1; SMN2
Benzylamine SCHEMBL10738289 0.97 LOXL2 (0.93) LOXL2TAAR1CYP2A6HTR2ASMN1; SMN2
Benzylamine SCHEMBL27532270 0.97 LOXL2 (0.93) LOXL2TAAR1CYP2A6HTR2ASMN1; SMN2
Benzylamine SCHEMBL4648819 0.94 LOXL2 (0.88) LOXL2TAAR1CYP2A6HTR2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759950-B2 Non-isocyanate siloxane-modified glycidyl carbamate resins and coatings containing them NDSU RESEARCH FOUNDATION (US) 2020-09-01 US disclosed
US-20190119505-A1 NOVEL NON-ISOCYANATE SILOXANE-MODIFIED GLYCIDYL CARBAMATE RESINS AND COATINGS CONTAINING THEM NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2019-04-25 US disclosed