SCHEMBL6989758

SCHEMBL6989758

CC(C)c1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(=O)c3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.57
AVPR2 P30518 3/20 0.57
OXTR P30559 2/20 0.57
AVPR1B P47901 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
SCHEMBL6991132 0.88 AVPR1A (0.72) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL6989274 0.88 AVPR2 (0.54) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL7349185 0.87 AVPR1A (0.59) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL6967016 0.87 AVPR1A (0.64) AVPR1AAVPR2OXTR
SCHEMBL5945610 0.86 AVPR2 (0.76) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL6990495 0.86 AVPR2 (0.58) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL6995083 0.86 AVPR2 (0.58) AVPR1AAVPR2OXTR
SCHEMBL6989699 0.85 RAB9A (0.55) AVPR1AAVPR2OXTR
SCHEMBL6989484 0.85 AVPR2 (0.70) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL8506093 0.81 AVPR1A (0.49) AVPR1AAVPR2OXTR

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