SCHEMBL9705014

SCHEMBL9705014

CCCc1c(F)n(CC(C)C)c(=O)n1Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL9734472 0.91 AGTR2 (0.34) AGTR1AGTR2
SCHEMBL9553875 0.91 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9733720 0.89 AGTR1 (0.33) AGTR1AGTR2ADORA2AADORA2BADORA1
SCHEMBL9705041 0.89 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9734758 0.88 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9705317 0.87 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9706069 0.86 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9553812 0.85 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9733524 0.85 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9705108 0.84 ADORA2A (0.35) AGTR1AGTR2ADORA2AADORA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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