SCHEMBL8937307

SCHEMBL8937307

COc1ccc(/C(=C\C(=O)N2CCNCC2)c2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 7/20 0.44
MGLL Q99685 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
HPGD P15428 2/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR3A P46098 1/20 0.40

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
SCHEMBL8937304 1.00 GPR183 (0.44) GPR183MGLLOPRM1OPRD1CCNC
SCHEMBL8937312 1.00 GPR183 (0.44) GPR183MGLLOPRM1OPRD1CCNC
SCHEMBL8937490 0.90 GPR183 (0.52) GPR183OPRM1OPRD1CCNCCDK8
SCHEMBL8937688 0.81 KMT2A (0.52) GPR183MGLLKMT2AALDH1A1NPC1
SCHEMBL8937695 0.81 KMT2A (0.52) GPR183MGLLKMT2AALDH1A1NPC1
SCHEMBL8937691 0.81 KMT2A (0.52) GPR183MGLLKMT2AALDH1A1NPC1
SCHEMBL8937483 0.80 ALDH1A1 (0.67) GPR183MEN1KMT2AALDH1A1
SCHEMBL8937481 0.80 ALDH1A1 (0.67) GPR183MEN1KMT2AALDH1A1
SCHEMBL14567018 0.80 ABCG2 (0.50) KMT2AALDH1A1NPC1MAPTHTR3E
SCHEMBL8937315 0.78 HPGD (0.50) HPGDMEN1KMT2AALDH1A1RAB9A

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
US-5559109-A Method of treating a PAF-mediated pathology or for treating or preventing psoriasis, nephritis, asthma or shock by administering a PAF antagonist SANKKO COMPANY, LIMITED (JP) 1996-09-24 US disclosed
US-5556852-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
US-5369106-A N-acryloylpiperazine derivatives, their preparation and their use of PAF antagonists SANKYO COMPANY, LIMITED (JP) 1994-11-29 US disclosed
US-5192766-A Platelet activating factor antagonist SANKYO COMPANY, LIMITED (JP) 1993-03-09 US disclosed