SCHEMBL8937490

SCHEMBL8937490

COc1ccc(C(=CC(=O)N2CCNCC2)c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 8/20 0.52
HPGD P15428 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
KCNH2 Q12809 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46

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 0.90 GPR183 (0.44) GPR183HPGDOPRM1OPRD1HTR3E
SCHEMBL8937307 0.90 GPR183 (0.44) GPR183HPGDOPRM1OPRD1HTR3E
SCHEMBL8937312 0.90 GPR183 (0.44) GPR183HPGDOPRM1OPRD1HTR3E
SCHEMBL27315299 0.86 GPR183 (0.48) GPR183HPGDOPRM1OPRD1HTR3E
SCHEMBL31337869 0.86 GPR183 (0.56) GPR183HPGDKCNH2ALDH1A1RAB9A
SCHEMBL27315291 0.86 GPR183 (0.56) GPR183HPGDKCNH2ALDH1A1RAB9A
SCHEMBL8937691 0.85 KMT2A (0.52) GPR183NPC1ALDH1A1RAB9APOLB
SCHEMBL8937695 0.85 KMT2A (0.52) GPR183NPC1ALDH1A1RAB9APOLB
SCHEMBL8937688 0.85 KMT2A (0.52) GPR183NPC1ALDH1A1RAB9APOLB
SCHEMBL8937485 0.84 L3MBTL1 (0.49) GPR183HPGDOPRM1OPRD1HTR3E

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-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
EP-0395446-B1 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists SANKYO CO (JP) 1995-03-01 EP 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
EP-0395446-A2 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists Sankyo Company Limited (JP) 1990-10-31 EP disclosed