SCHEMBL9531764

SCHEMBL9531764

Cc1c(CCC(C)C)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(=O)n1CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.40
AGTR2 P50052 5/20 0.40
GNRHR P30968 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
PPARG P37231 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
SCHEMBL9554527 0.92 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9554102 0.92 AGTR1 (0.40) AGTR1AGTR2ADORA3
SCHEMBL9554922 0.92 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9554005 0.91 AGTR1 (0.40) AGTR1AGTR2ADORA3
SCHEMBL9555091 0.91 AGTR1 (0.40) AGTR1AGTR2ADORA3
SCHEMBL9554414 0.90 AGTR2 (0.39) AGTR1AGTR2ADORA3
SCHEMBL9533736 0.90 AGTR1 (0.39) AGTR1AGTR2ADORA3
SCHEMBL9531224 0.90 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9531587 0.89 AGTR1 (0.42) AGTR1AGTR2ADORA3
SCHEMBL9035629 0.89 AGTR1 (0.39) 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