SCHEMBL9848918

SCHEMBL9848918

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

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.43
AGTR1 P30556 1/20 0.42

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
SCHEMBL9848901 0.93 AGTR1 (0.44) AGTR1
SCHEMBL9848912 0.90 AGTR1 (0.47) AGTR1
SCHEMBL9848892 0.90 AGTR1 (0.47) AGTR1
SCHEMBL9848915 0.88 AGTR1 (0.46) AGTR1
SCHEMBL9848916 0.87 AGTR1 (0.46) AGTR1
SCHEMBL9848939 0.87 AGTR1 (0.46) AGTR1
SCHEMBL9848932 0.85 PPARG (0.49) PPARG
SCHEMBL9422505 0.85 AGTR1 (0.47) AGTR1
SCHEMBL9848928 0.83
SCHEMBL12079992 0.83 PPARG (0.43) PPARG

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