SCHEMBL9554394

SCHEMBL9554394

CC#CCc1cn(C(=O)CCC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.39
AGTR2 P50052 5/20 0.39
PPARG P37231 1/20 0.36

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
SCHEMBL9554260 0.95 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL9554388 0.93 AGTR1 (0.38) AGTR1AGTR2PPARG
SCHEMBL9553635 0.90 AGTR1 (0.36) AGTR1AGTR2PPARG
SCHEMBL9536245 0.90 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9035616 0.89 AGTR1 (0.45) AGTR1AGTR2PPARG
SCHEMBL9530971 0.87 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9036101 0.87 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9553962 0.86 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9554018 0.86 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9554092 0.86 AGTR1 (0.42) AGTR1AGTR2

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
US-5238952-A Treating glaucoma disorders G. D. SEARLE & CO. (US) 1993-08-24 US disclosed
WO-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed
US-5087634-A N-substituted imidazol-2-one compounds for treatment of circulatory disorders G. D. SEARLE & CO. (US) 1992-02-11 US disclosed