SCHEMBL9846004

SCHEMBL9846004

CCCCc1nc(C)nc(OC)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
ACHE P22303 1/20 0.41
APLNR P35414 1/20 0.40
AGTR1 P30556 1/20 0.39

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
SCHEMBL9846011 0.90 PPARG (0.39) PPARGACHEAGTR1
SCHEMBL14245732 0.90 PPARG (0.39) PPARGACHEAGTR1
SCHEMBL9846003 0.89 PPARG (0.40) PPARGACHEAGTR1
SCHEMBL14245333 0.89 PPARG (0.39) PPARGACHEAGTR1
SCHEMBL14245395 0.88 PPARG (0.38) PPARGACHEAPLNRAGTR1
SCHEMBL14245925 0.87 PPARG (0.38) PPARGACHEAGTR1
SCHEMBL14245313 0.87 PPARG (0.38) PPARGACHEAGTR1
SCHEMBL14246120 0.87 AGTR1 (0.39) PPARGACHEAGTR1
SCHEMBL9309290 0.87 PPARG (0.46) PPARGACHEAGTR1
SCHEMBL14245549 0.86 FFAR1 (0.43) AGTR1

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-0424317-A2 Pyrimidines CIBA-GEIGY AG (CH) 1991-04-24 EP disclosed