SCHEMBL9534844

SCHEMBL9534844

COC(OC)c1c(CCC(C)C)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(=O)n1CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.38
AGTR2 P50052 4/20 0.38
PPARG P37231 2/20 0.34
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL9554510 0.93 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL9533282 0.93 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL9554581 0.91 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9533736 0.91 AGTR1 (0.39) AGTR1AGTR2ADORA3
SCHEMBL9037211 0.89 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9531764 0.89 AGTR1 (0.40) AGTR1AGTR2PPARGADORA3
SCHEMBL9554102 0.89 AGTR1 (0.40) AGTR1AGTR2ADORA3
SCHEMBL9035706 0.88 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9554492 0.88 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9554119 0.88 AGTR1 (0.36) 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