SCHEMBL9533397

SCHEMBL9533397

CCC(C)c1cn(CCC2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.48
AGTR2 P50052 6/20 0.48

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
SCHEMBL9554150 0.93 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9553893 0.88 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9554512 0.88 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9554680 0.87 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9553754 0.87 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9554368 0.87 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9531328 0.87 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9534738 0.86 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9554557 0.86 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9036211 0.86 AGTR1 (0.52) 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 3 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