SCHEMBL6995083

SCHEMBL6995083

COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(=O)c3ccccc32)cc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.58
AVPR1A P37288 3/20 0.58
MAPT P10636 2/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
AHR P35869 1/20 0.56
GFER P55789 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
OXTR P30559 2/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL6989274 0.90 AVPR2 (0.54) AVPR2AVPR1AOXTRALDH1A1
SCHEMBL6989699 0.89 RAB9A (0.55) AVPR2AVPR1ARAB9AOXTRMEN1
SCHEMBL6991132 0.87 AVPR1A (0.72) AVPR2AVPR1AOXTR
SCHEMBL7354363 0.86 AVPR1A (0.74) AVPR2AVPR1AOXTR
SCHEMBL8558289 0.86 AVPR2 (0.60) AVPR2AVPR1AMAPTRAB9AOXTR
SCHEMBL7349230 0.86 AVPR2 (0.52) AVPR2AVPR1AOXTR
SCHEMBL6989758 0.86 AVPR1A (0.57) AVPR2AVPR1AOXTR
SCHEMBL7349185 0.85 AVPR1A (0.59) AVPR2AVPR1AOXTR
SCHEMBL6989484 0.85 AVPR2 (0.70) AVPR2AVPR1AOXTR
SCHEMBL7349028 0.85 AVPR1A (0.76) AVPR2AVPR1AOXTR

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