SCHEMBL6992001

SCHEMBL6992001

Cc1ccccc1CC(=O)Nc1ccc(C(=O)N2CCCC(=O)c3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.50
AVPR2 P30518 1/20 0.50
OXTR P30559 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL6991997 0.88 AVPR2 (0.59) AVPR2
SCHEMBL6988600 0.87 GAA (0.52) MEN1KMT2A
SCHEMBL8557382 0.86 AVPR2 (0.50) AVPR1AAVPR2OXTRMEN1KMT2A
SCHEMBL6967016 0.83 AVPR1A (0.64) AVPR1AAVPR2OXTR
SCHEMBL6991132 0.82 AVPR1A (0.72) AVPR1AAVPR2OXTR
SCHEMBL7331304 0.82 KMT2A (0.48) AVPR1AAVPR2MEN1KMT2APOLB
SCHEMBL6987460 0.80 AVPR1A (0.71) AVPR1AAVPR2OXTRMEN1KMT2A
SCHEMBL6992874 0.80 PDCD1 (0.53) AVPR2
SCHEMBL8820413 0.80 AVPR2 (0.56) AVPR1AAVPR2OXTRMEN1KMT2A
Hydrochloric Acid SCHEMBL6996579 0.79 AVPR2 (0.49) AVPR1AAVPR2OXTRMEN1KMT2A

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