SCHEMBL9733720

SCHEMBL9733720

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.33
AGTR2 P50052 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 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
SCHEMBL9554354 0.91 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9705014 0.89 AGTR1 (0.34) AGTR1AGTR2ADORA3ADORA2AADORA2B
SCHEMBL9733867 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9734472 0.89 AGTR2 (0.34) AGTR1AGTR2
SCHEMBL9554014 0.86 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9553793 0.84 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9037384 0.84 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9733524 0.83 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9036723 0.83 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9532512 0.82 AGTR1 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5087634-A N-substituted imidazol-2-one compounds for treatment of circulatory disorders G. D. SEARLE & CO. (US) 1992-02-11 US disclosed