SCHEMBL9705099

SCHEMBL9705099

CCCCc1cn(C(C)C)c(=O)n1Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.46
AGTR2 P50052 7/20 0.46

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
SCHEMBL9705225 0.93 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9036759 0.90 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9554532 0.88 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9704911 0.85 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9734093 0.85 KMT2A (0.34) AGTR1AGTR2
SCHEMBL9734099 0.85 KMT2A (0.34) AGTR1AGTR2
SCHEMBL9035297 0.85 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7686341 0.84 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9036627 0.83 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9690211 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
WO-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO claimed