SCHEMBL9535943

SCHEMBL9535943

CC(C)CCc1cn(C(=O)C2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.39
AGTR2 P50052 3/20 0.38
PPARG P37231 1/20 0.36
TDP1 Q9NUW8 1/20 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
SCHEMBL9531854 0.92 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL9035414 0.91 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9036845 0.90 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9553733 0.90 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9554346 0.89 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL9534116 0.89 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9553914 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9553920 0.88 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9531681 0.86 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9531325 0.86 AGTR1 (0.39) 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