SCHEMBL9705106

SCHEMBL9705106

CC(C)CCc1c(Cl)n(CCC(C)C)c(=O)n1Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA3 P0DMS8 1/20 0.33
AGTR1 P30556 2/20 0.33
AGTR2 P50052 2/20 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
SCHEMBL9705078 0.94 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9034921 0.91 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9733398 0.88 KMT2A (0.34) AGTR1AGTR2
SCHEMBL9036503 0.87 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9037085 0.87 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9037161 0.86 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9036141 0.86 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9705108 0.86 ADORA2A (0.35) ADORA2AADORA2BAGTR1AGTR2
SCHEMBL9733524 0.85 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9733915 0.85 AGTR1 (0.43) 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 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 claimed
US-5087634-A N-substituted imidazol-2-one compounds for treatment of circulatory disorders G. D. SEARLE & CO. (US) 1992-02-11 US disclosed