SCHEMBL9844397

SCHEMBL9844397

CCCCc1nccc(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.55
ACHE P22303 1/20 0.53
AGTR1 P30556 6/20 0.49
AGTR2 P50052 5/20 0.47
APLNR P35414 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
SCHEMBL9843965 0.88 CYP19A1 (0.46) PPARGACHEAGTR1AGTR2
SCHEMBL9843897 0.84 PPARG (0.58) PPARGACHEAGTR1AGTR2
SCHEMBL4305127 0.84 PPARG (0.58) PPARGACHEAGTR1AGTR2
SCHEMBL1888053 0.83 PPARG (0.57) PPARGACHEAGTR1AGTR2
SCHEMBL9843913 0.83 PPARG (0.60) PPARGACHEAGTR1AGTR2
SCHEMBL9844118 0.82 PPARG (0.52) PPARGACHEAGTR1AGTR2
SCHEMBL9337497 0.82 PPARG (0.56) PPARGACHEAGTR1AGTR2APLNR
SCHEMBL9844140 0.81 PPARG (0.56) PPARGACHEAGTR1AGTR2
SCHEMBL9843750 0.81 PPARG (0.56) PPARGACHEAGTR1AGTR2
SCHEMBL9843823 0.81 PPARG (0.56) PPARGACHEAGTR1AGTR2APLNR

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