SCHEMBL9848925

SCHEMBL9848925

CCCCc1nc(CC)n(C)c(=O)c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 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
SCHEMBL9848936 0.95 AGTR1 (0.45) AGTR1
SCHEMBL9848907 0.95 AGTR1 (0.44) AGTR1
SCHEMBL9848935 0.91 AGTR1 (0.43) AGTR1
SCHEMBL9848903 0.91 AGTR1 (0.45) AGTR1
SCHEMBL9848924 0.90 AGTR1 (0.43) AGTR1
SCHEMBL9422505 0.90 AGTR1 (0.47) AGTR1
SCHEMBL9848896 0.89 AGTR1 (0.45) AGTR1
SCHEMBL9848931 0.89 AGTR1 (0.45) AGTR1
SCHEMBL9848895 0.88 AGTR1 (0.45) AGTR1
SCHEMBL9848927 0.88 SLC33A1 (0.43)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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