SCHEMBL6987155

SCHEMBL6987155

Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3OC(C)C)cc1)CC2

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.57
AVPR1A P37288 6/20 0.57
OXTR P30559 2/20 0.45

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
Hydrochloric Acid SCHEMBL6984670 0.99 AVPR2 (0.57) AVPR2AVPR1AOXTR
Hydrochloric Acid SCHEMBL6986424 0.91 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL6991354 0.90 AVPR2 (0.49) AVPR2AVPR1AOXTR
Hydrochloric Acid SCHEMBL6992455 0.89 AVPR2 (0.60) AVPR2AVPR1AOXTR
Hydrochloric Acid SCHEMBL6995427 0.89 AVPR2 (0.49) AVPR2AVPR1AOXTR
Hydrochloric Acid SCHEMBL6994231 0.89 AVPR2 (0.56) AVPR2AVPR1AOXTR
SCHEMBL6986559 0.88 AVPR1A (0.62) AVPR2AVPR1AOXTR
Hydrochloric Acid SCHEMBL6993820 0.87 AVPR1A (0.61) AVPR2AVPR1AOXTR
Conivaptan SCHEMBL4625101 0.86 AVPR2 (0.75) AVPR2AVPR1AOXTR
Conivaptan SCHEMBL29406590 0.86 AVPR2 (0.75) 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 3 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
EP-0709386-A1 FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-05-01 EP disclosed