Benzylamine

Benzylamine

SCHEMBL5583890

NCc1ccccc1.Oc1ccc2cc(O)ccc2c1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.63
LOXL2 Q9Y4K0 1/20 0.58
CYP1A2 P05177 4/20 0.58
ABAT P80404 1/20 0.54
ESR2 Q92731 5/20 0.53
ESR1 P03372 4/20 0.53
MAOB P27338 1/20 0.48
CYP2C19 P33261 3/20 0.48
TAAR1 Q96RJ0 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B1 P14061 1/20 0.48
CYP2B6 P20813 1/20 0.48
HSD17B2 P37059 1/20 0.48
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL2454279 0.83 ABAT (0.58) ENPP2CYP1A2ABATESR2ESR1
SCHEMBL28416019 0.83 ABAT (0.58) ENPP2CYP1A2ABATESR2ESR1
Benzylamine SCHEMBL5930798 0.80 LOXL2 (0.74) ENPP2LOXL2CYP1A2ABATMAOB
Benzylamine SCHEMBL27781209 0.79 LOXL2 (0.93) ENPP2LOXL2CYP1A2ABATMAOB
SCHEMBL29598265 0.78
SCHEMBL138953 0.78
SCHEMBL10958615 0.78 ALOX5 (0.59) CYP1A2ESR2ESR1CYP3A4MEN1
Betanaphthol SCHEMBL8651479 0.77 CYP1A2 (0.94) CYP1A2ESR2ESR1CYP2C19CYP2D6
SCHEMBL5779818 0.77 ABAT (0.56) ENPP2CYP1A2ABATESR2ESR1
SCHEMBL19242392 0.76 LOXL2 (1.00) ENPP2LOXL2CYP1A2ABATMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279244-B2 Fuel cell, polyelectrolyte and ion-exchange resin use for same HITACHI, LTD. (JP) 2007-10-09 US disclosed
US-7022743-B2 Fuel cell, polyelectrolyte and ion-exchange resin used for same HITACHI, LTD. (JP) 2006-04-04 US disclosed
US-6989212-B2 Fuel cell, polyelectrolyte and ion-exchange resin used for same HITACHI, LTD. (JP) 2006-01-24 US disclosed
US-20050271923-A1 Fuel cell, polyelectrolyte and ion-exchange resin use for same HITACHI, LTD. (JP) 2005-12-08 US disclosed
US-20030129467-A1 Fuel cell, polyelectrolyte and ion-exchange resin used for same HITACHI, LTD. (JP) 2003-07-10 US disclosed
US-20030118886-A1 Fuel cell, polyelectrolyte and ion-exchange resin used for same HITACHI, LTD. (JP) 2003-06-26 US disclosed