SCHEMBL9554239

SCHEMBL9554239

CC(C)Cc1cn(C(=O)CC2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.39
AGTR2 P50052 2/20 0.39
PPARG P37231 2/20 0.35

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
SCHEMBL9554346 0.92 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL9530089 0.91 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL9034931 0.90 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL9531854 0.89 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL9531237 0.88 AGTR1 (0.38) AGTR1AGTR2PPARG
SCHEMBL9534729 0.88 AGTR1 (0.38) AGTR1AGTR2PPARG
SCHEMBL9035613 0.88 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9531481 0.88 AGTR1 (0.38) AGTR1AGTR2PPARG
SCHEMBL9553749 0.88 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9553896 0.88 AGTR1 (0.40) 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