SCHEMBL9532678

SCHEMBL9532678

CC(C)CCc1c(C(=O)O)n(Cc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 1/20 0.50
AGTR1 P30556 1/20 0.49
AGTR2 P50052 1/20 0.49

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
SCHEMBL9554771 0.94 BRS3 (0.49) BRS3AGTR1AGTR2
SCHEMBL9038808 0.94 AGTR1 (0.50) BRS3AGTR1AGTR2
SCHEMBL9534309 0.94 BRS3 (0.48) BRS3AGTR1AGTR2
SCHEMBL9555320 0.94 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9555471 0.92 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9036539 0.90 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9536794 0.90 BRS3 (0.48) BRS3AGTR1AGTR2
SCHEMBL9530570 0.90 PPARG (0.50) BRS3AGTR1AGTR2
SCHEMBL9553835 0.90 BRS3 (0.50) BRS3AGTR1AGTR2
SCHEMBL9537520 0.90 AGTR1 (0.55) 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 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