SCHEMBL9532889

SCHEMBL9532889

CCCc1c(C)n(CCC)c(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.57
AGTR2 P50052 2/20 0.57
PPARG P37231 3/20 0.56

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
SCHEMBL9554165 0.94 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL9036172 0.94 AGTR1 (0.63) AGTR1AGTR2PPARG
SCHEMBL9533795 0.94 PPARG (0.57) AGTR1AGTR2PPARG
SCHEMBL9532126 0.94 PPARG (0.58) AGTR1AGTR2PPARG
SCHEMBL9530481 0.93 AGTR1 (0.60) AGTR1AGTR2PPARG
SCHEMBL9532945 0.93 PPARG (0.57) AGTR1AGTR2PPARG
SCHEMBL9554104 0.91 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9536510 0.91 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL9036057 0.90 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9533921 0.89 AGTR1 (0.57) 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
EP-0555331-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1993-08-18 EP 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