SCHEMBL9844347

SCHEMBL9844347

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

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.56
ACHE P22303 1/20 0.52
APLNR P35414 2/20 0.51
AGTR1 P30556 3/20 0.49
AGTR2 P50052 2/20 0.48

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
SCHEMBL9843820 0.93 PPARG (0.57) PPARGACHEAPLNRAGTR1
SCHEMBL9843828 0.90 PPARG (0.56) PPARGACHEAPLNRAGTR1AGTR2
SCHEMBL9843803 0.90 PPARG (0.58) PPARGACHEAGTR1
SCHEMBL9843787 0.89 PDE4A (0.44) PPARGAPLNRAGTR1AGTR2
SCHEMBL9844021 0.85 PPARG (0.59) PPARGAGTR1
SCHEMBL1894638 0.85 PPARG (0.56) PPARGACHEAGTR1
SCHEMBL9843724 0.85 PPARG (0.59) PPARGAGTR1
SCHEMBL9844258 0.83 PDE4A (0.69) PPARGAGTR1AGTR2
SCHEMBL1891530 0.83 PPARG (0.55) PPARGACHEAGTR1
SCHEMBL1893671 0.83 PPARG (0.55) PPARGACHEAGTR1

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