SCHEMBL6988600

SCHEMBL6988600

COc1ccccc1CC(=O)Nc1ccc(C(=O)N2CCCC(=O)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
GFER P55789 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
TSHR P16473 1/20 0.47
KLK7 P49862 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 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
SCHEMBL6992874 0.89 PDCD1 (0.53)
SCHEMBL6992001 0.87 AVPR1A (0.50) MEN1KMT2A
SCHEMBL6995083 0.83 AVPR2 (0.58) GFERMEN1KMT2AMAPT
SCHEMBL6991997 0.80 AVPR2 (0.59)
Hydrochloric Acid SCHEMBL6994121 0.80 AVPR2 (0.46) GAAGFERMEN1KMT2AKDM4E
SCHEMBL6988182 0.80 ALDH1A1 (0.54) GAAMEN1KMT2AKDM4ETSHR
SCHEMBL4681273 0.79 AVPR1A (0.62) GAAGFER
SCHEMBL9028609 0.79 AVPR1A (0.51) GAAGFERMEN1KMT2AKDM4E
SCHEMBL8316223 0.78 GAA (0.46) GAAGFERMEN1KMT2AKDM4E
SCHEMBL6989699 0.77 RAB9A (0.55) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709386-B1 FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-1097920-A1 Intermediate for condensed benzazepine derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2001-05-09 EP disclosed
US-5856564-A CHEMICAL INTERMEDIATE FOR VASOPRESSIN ANTAGONIST YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1999-01-05 US disclosed
US-5723606-A Condensed benzazepine derivative and pharmaceutical composition thereof YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-03-03 US disclosed
EP-0709386-A1 FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-05-01 EP disclosed