SCHEMBL9253170

SCHEMBL9253170

COc1ccccc1C(=C1CC[N]CC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.39
SETD7 Q8WTS6 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39
KCNH2 Q12809 1/20 0.39
TSHR P16473 1/20 0.39
KCNK3 O14649 1/20 0.39

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
SCHEMBL9256707 0.91 OPRM1 (0.43) OPRM1OPRD1NPC1RAB9AALDH1A1
SCHEMBL9253634 0.81 SETD7 (0.43) NPC1RAB9AALDH1A1LMNASETD7
SCHEMBL13437754 0.81 SETD7 (0.66) OPRM1OPRD1NPC1RAB9AALDH1A1
SCHEMBL9038594 0.78 HTR2A (0.53) OPRM1OPRD1ALDH1A1LMNASETD7
SCHEMBL9249498 0.76 ALDH1A1 (0.40) NPC1RAB9AALDH1A1LMNASETD7
SCHEMBL9257091 0.76 OPRM1 (0.44) OPRM1OPRD1NPC1RAB9AALDH1A1
SCHEMBL13437764 0.72 SETD7 (0.54) OPRM1OPRD1RAB9AALDH1A1SETD7
SCHEMBL27508978 0.72 OPRM1 (0.45) OPRM1OPRD1ALDH1A1SETD7HTR2A
SCHEMBL13437756 0.70 SETD7 (0.54) OPRM1OPRD1ALDH1A1SETD7KDM4E
SCHEMBL13462407 0.70 OPRM1 (0.57) OPRM1OPRD1NPC1RAB9AALDH1A1

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-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed