SCHEMBL9843790

SCHEMBL9843790

CCCCc1nc(C)c(C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.56
AGTR1 P30556 3/20 0.51
KCNH2 Q12809 1/20 0.49

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
SCHEMBL9844325 0.92 PPARG (0.51) PPARGAGTR1
SCHEMBL9843837 0.89 AGTR1 (0.59) PPARGAGTR1
SCHEMBL9844155 0.89 AGTR1 (0.53) PPARGAGTR1
SCHEMBL9843911 0.88 AGTR1 (0.58) PPARGAGTR1
SCHEMBL9844027 0.88 AGTR1 (0.58) PPARGAGTR1
SCHEMBL7325814 0.86 AGTR1 (0.52) PPARGAGTR1
SCHEMBL9231293 0.85 PPARG (0.63) PPARGAGTR1
SCHEMBL13036727 0.85 AGTR1 (0.51) AGTR1
SCHEMBL7819440 0.84 PPARG (0.61) PPARGAGTR1
SCHEMBL9844327 0.84 PPARG (0.61) PPARGAGTR1

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-0407342-A2 Pyrimidine derivatives CIBA-GEIGY AG (CH) 1991-01-09 EP disclosed