SCHEMBL6991859

SCHEMBL6991859

Cc1nc2c(s1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 17/20 0.72
AVPR2 P30518 16/20 0.72
OXTR P30559 1/20 0.61
AVPR1B P47901 4/20 0.61

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
SCHEMBL6995394 0.91 AVPR1A (0.65) AVPR1AAVPR2OXTRAVPR1B
Bromide SCHEMBL6995133 0.90 AVPR1A (0.64) AVPR1AAVPR2OXTRAVPR1B
Hydrochloric Acid SCHEMBL6992303 0.90 AVPR1A (0.64) AVPR1AAVPR2OXTRAVPR1B
Hydrochloric Acid SCHEMBL6991978 0.88 AVPR2 (0.62) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL6994936 0.88 AVPR2 (0.62) AVPR1AAVPR2OXTRAVPR1B
Hydrochloric Acid SCHEMBL6993067 0.88 AVPR1A (0.62) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL6985701 0.87 AVPR1A (0.61) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL6985698 0.87 AVPR1A (0.61) AVPR1AAVPR2OXTRAVPR1B
Hydrochloric Acid SCHEMBL9033975 0.87 AVPR1A (0.60) AVPR1AAVPR2OXTRAVPR1B
Hydrochloric Acid SCHEMBL6991983 0.87 AVPR1A (0.60) AVPR1AAVPR2OXTRAVPR1B

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