SCHEMBL9554346

SCHEMBL9554346

CC(C)CCc1cn(C(=O)CC2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.39
AGTR2 P50052 3/20 0.39
PPARG P37231 2/20 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
SCHEMBL9554239 0.92 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL9034931 0.92 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL9035613 0.90 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9530089 0.90 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL9553749 0.89 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9535943 0.89 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL9554314 0.89 AGTR1 (0.45) AGTR1AGTR2PPARG
SCHEMBL9532302 0.88 AGTR1 (0.38) AGTR1AGTR2PPARG
SCHEMBL9531362 0.88 AGTR1 (0.38) AGTR1AGTR2PPARG
SCHEMBL9553449 0.87 AGTR1 (0.42) AGTR1AGTR2PPARG

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