SCHEMBL6989699

SCHEMBL6989699

CCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(=O)c3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
AVPR2 P30518 3/20 0.53
OXTR P30559 2/20 0.53
AVPR1A P37288 2/20 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
SCHEMBL6995083 0.89 AVPR2 (0.58) RAB9AMEN1KMT2AAVPR2OXTR
SCHEMBL7349230 0.89 AVPR2 (0.52) AVPR2OXTRAVPR1A
SCHEMBL6989274 0.88 AVPR2 (0.54) AVPR2OXTRAVPR1A
SCHEMBL6989758 0.85 AVPR1A (0.57) AVPR2OXTRAVPR1A
SCHEMBL6991132 0.84 AVPR1A (0.72) AVPR2OXTRAVPR1A
SCHEMBL7349185 0.83 AVPR1A (0.59) AVPR2OXTRAVPR1A
SCHEMBL6967016 0.82 AVPR1A (0.64) AVPR2OXTRAVPR1A
SCHEMBL5945610 0.82 AVPR2 (0.76) AVPR2OXTRAVPR1A
SCHEMBL6990495 0.82 AVPR2 (0.58) AVPR2OXTRAVPR1A
SCHEMBL6989484 0.81 AVPR2 (0.70) AVPR2OXTRAVPR1A

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