SCHEMBL9388683

SCHEMBL9388683

CCCCc1cn(-c2ccccc2C#N)c(=O)n1Cc1ccc(-c2cccnc2-c2nnn[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.45
AGTR2 P50052 10/20 0.45
ACHE P22303 1/20 0.38

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
SCHEMBL9269685 0.95 PPARG (0.41) AGTR1AGTR2
SCHEMBL9392388 0.94 AGTR1 (0.45) AGTR1AGTR2ACHE
SCHEMBL6499862 0.91 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8107927 0.90 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9267995 0.90 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9280743 0.89 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9389302 0.89 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9388462 0.89 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9388549 0.89 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9389339 0.89 AGTR1 (0.47) 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-1994008990-A1 N-ARYLHETEROARYLALKYL 1-PHENYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1994-04-28 WO disclosed