SCHEMBL9848897

SCHEMBL9848897

CCCCc1nc(C)n(CC(=O)N2CCOCC2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.43
ACHE P22303 1/20 0.40

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
SCHEMBL1893629 0.88 AGTR1 (0.45) AGTR1
SCHEMBL1894688 0.88 GAA (0.43) ACHE
SCHEMBL2845783 0.86 ACHE (0.43) ACHE
SCHEMBL1892679 0.85 AGTR1 (0.60) AGTR1
SCHEMBL9848888 0.84
SCHEMBL1889005 0.84 AGTR1 (0.43) AGTR1
SCHEMBL9848878 0.84 AGTR1 (0.45) AGTR1
SCHEMBL9848919 0.84 ACHE (0.46) ACHE
SCHEMBL1894209 0.83 ACHE (0.44) ACHE
SCHEMBL9848891 0.83 ACHE (0.45) ACHE

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
EP-0435827-A2 Diaza compounds CIBA-GEIGY AG (CH) 1991-07-03 EP disclosed