SCHEMBL9705108

SCHEMBL9705108

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
AGTR1 P30556 2/20 0.34
AGTR2 P50052 2/20 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
SCHEMBL9734718 0.91 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9036176 0.91 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9705028 0.87 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9705317 0.86 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9705106 0.86 ADORA2A (0.35) ADORA2AADORA2BAGTR1AGTR2
SCHEMBL9705495 0.86 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9036545 0.86 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9734153 0.85 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9035557 0.85 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9704951 0.85 GP6 (0.38) 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 disclosed