SCHEMBL9308892

SCHEMBL9308892

CCCCc1nc(C)n2[nH]c(=O)nc2c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.62
ACHE P22303 1/20 0.44

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
SCHEMBL9308944 0.94 AGTR1 (0.69) AGTR1
SCHEMBL9308412 0.91 AGTR1 (0.58) AGTR1
SCHEMBL9309558 0.84 AGTR1 (0.56) AGTR1
SCHEMBL9310003 0.84 AGTR1 (0.62) AGTR1
SCHEMBL9848891 0.83 ACHE (0.45) ACHE
SCHEMBL1888296 0.83 ACHE (0.47) AGTR1ACHE
SCHEMBL9308603 0.83 AGTR1 (0.44) AGTR1ACHE
SCHEMBL9848919 0.82 ACHE (0.46) ACHE
SCHEMBL1894209 0.82 ACHE (0.44) ACHE
SCHEMBL9311500 0.82 AGTR1 (0.49) AGTR1

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-5358950-A Useful in treatment of cardiovascular diseases LABORATOIRES UPSA (FR) 1994-10-25 US disclosed