SCHEMBL9734718

SCHEMBL9734718

CCCc1c(C)n(CCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.40
AGTR2 P50052 4/20 0.40
TP53 P04637 1/20 0.35

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
SCHEMBL9705495 0.95 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9036550 0.91 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9705108 0.91 ADORA2A (0.35) AGTR1AGTR2
SCHEMBL9705028 0.90 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9705111 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9734153 0.88 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL7680116 0.86 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9035862 0.86 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9035998 0.85 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7675559 0.85 AGTR1 (0.39) 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