SCHEMBL6991997

SCHEMBL6991997

Cc1cc(C(=O)N2CCCC(=O)c3ccccc32)ccc1CC(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.59
PDCD1 Q15116 2/20 0.51
CD274 Q9NZQ7 2/20 0.51

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
SCHEMBL6992001 0.88 AVPR1A (0.50) AVPR2
SCHEMBL6992874 0.88 PDCD1 (0.53) AVPR2PDCD1CD274
SCHEMBL7331308 0.82 AVPR2 (0.54) AVPR2PDCD1CD274
SCHEMBL6988600 0.80 GAA (0.52)
SCHEMBL25561676 0.80 PDE4A (0.49)
Hydrochloric Acid SCHEMBL6996577 0.80 AVPR2 (0.48) AVPR2PDCD1CD274
SCHEMBL6990990 0.76 AVPR2 (0.57) AVPR2
SCHEMBL6967016 0.75 AVPR1A (0.64) AVPR2
SCHEMBL25561797 0.75 PDE4A (0.61)
SCHEMBL31399110 0.75 L3MBTL1 (0.47) AVPR2

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