SCHEMBL9530997

SCHEMBL9530997

CCCc1c(C(F)F)n(C(=O)C2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.41
AGTR2 P50052 4/20 0.41
PPARG P37231 3/20 0.38

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
SCHEMBL9554035 0.96 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL9531464 0.93 AGTR1 (0.38) AGTR1AGTR2PPARG
SCHEMBL9534134 0.91 AGTR1 (0.40) AGTR1AGTR2PPARG
SCHEMBL9530418 0.90 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL9554386 0.90 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL9554251 0.89 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL9553918 0.89 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL9553717 0.89 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL9530108 0.88 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL9553767 0.88 AGTR1 (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0561961-A1 NOVEL HETEROCYCLIC AMIDINES AND GUANIDINES AS PLANT FUNGICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-09-29 EP disclosed
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