SCHEMBL9846065

SCHEMBL9846065

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.41
ACHE P22303 1/20 0.40
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39
PPARG P37231 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
SCHEMBL9846004 0.84 PPARG (0.44) APLNRACHEAGTR1PPARG
SCHEMBL9308844 0.84 PPARG (0.45) APLNRACHEAGTR1AGTR2PPARG
SCHEMBL9846018 0.83 ACHE (0.44) ACHEAGTR1AGTR2PPARG
SCHEMBL9309290 0.83 PPARG (0.46) ACHEAGTR1AGTR2PPARG
SCHEMBL14246157 0.82 ALDH1A1 (0.40) ACHEAGTR1AGTR2
SCHEMBL14245549 0.82 FFAR1 (0.43) AGTR1AGTR2
SCHEMBL9846031 0.82 PPARG (0.43) ACHEAGTR1PPARG
SCHEMBL9846003 0.81 PPARG (0.40) ACHEAGTR1AGTR2PPARG
SCHEMBL14246017 0.81 DPP4 (0.40) ACHE
SCHEMBL9308911 0.81 PPARG (0.41) ACHEAGTR1AGTR2PPARG

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