SCHEMBL9533923

SCHEMBL9533923

CCCn1c(CF)c(CCC(C)C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.52
AGTR2 P50052 3/20 0.52
PPARG P37231 2/20 0.48

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
SCHEMBL9036788 0.95 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9531420 0.94 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9540097 0.94 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL9534250 0.93 BRS3 (0.49) AGTR1AGTR2PPARG
SCHEMBL9532530 0.93 BRS3 (0.48) AGTR1AGTR2PPARG
SCHEMBL9533145 0.93 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL9533625 0.93 AGTR1 (0.48) AGTR1AGTR2PPARG
SCHEMBL9554244 0.91 AGTR1 (0.56) AGTR1AGTR2PPARG
SCHEMBL9553813 0.91 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9536641 0.91 BRS3 (0.47) 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 4 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
EP-0555331-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1993-08-18 EP 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