SCHEMBL6989274

SCHEMBL6989274

CC(C)Oc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(=O)c3ccccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.54
AVPR1A P37288 3/20 0.54
OXTR P30559 2/20 0.54
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
AVPR1B P47901 1/20 0.50

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 0.90 AVPR2 (0.58) AVPR2AVPR1AOXTRALDH1A1
SCHEMBL6989758 0.88 AVPR1A (0.57) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6989699 0.88 RAB9A (0.55) AVPR2AVPR1AOXTR
SCHEMBL6991132 0.85 AVPR1A (0.72) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7349230 0.84 AVPR2 (0.52) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7349185 0.84 AVPR1A (0.59) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6967016 0.83 AVPR1A (0.64) AVPR2AVPR1AOXTR
SCHEMBL6990495 0.83 AVPR2 (0.58) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL5945610 0.83 AVPR2 (0.76) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6989484 0.82 AVPR2 (0.70) AVPR2AVPR1AOXTRAVPR1B

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