SCHEMBL9844140

SCHEMBL9844140

CCCCc1nc(C(C)C)cc(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.56
ACHE P22303 1/20 0.49
AGTR1 P30556 4/20 0.46
AGTR2 P50052 3/20 0.46

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
SCHEMBL9843897 0.87 PPARG (0.58) PPARGACHEAGTR1AGTR2
SCHEMBL4305127 0.87 PPARG (0.58) PPARGACHEAGTR1AGTR2
SCHEMBL1892187 0.87 PPARG (0.61) PPARGACHEAGTR1AGTR2
SCHEMBL9843913 0.87 PPARG (0.60) PPARGACHEAGTR1AGTR2
SCHEMBL1888053 0.87 PPARG (0.57) PPARGACHEAGTR1AGTR2
SCHEMBL1891281 0.86 PPARG (0.62) PPARGACHEAGTR1AGTR2
SCHEMBL9843823 0.85 PPARG (0.56) PPARGACHEAGTR1AGTR2
SCHEMBL9843750 0.85 PPARG (0.56) PPARGACHEAGTR1AGTR2
SCHEMBL9844050 0.84 PPARG (0.55) PPARGACHEAGTR1AGTR2
SCHEMBL1892192 0.83 PPARG (0.54) PPARGACHEAGTR1AGTR2

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