SCHEMBL9846015

SCHEMBL9846015

CCCCc1nc(O)c(CCc2ccc(-c3ccccc3C#N)cc2)c(CCCC)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
AGTR1 P30556 4/20 0.43
AGTR2 P50052 3/20 0.43
APLNR P35414 3/20 0.42
ACHE P22303 1/20 0.42
ESR2 Q92731 1/20 0.41
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
BRS3 P32247 1/20 0.37

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
SCHEMBL9846039 0.92 PPARG (0.45) PPARGAGTR1AGTR2APLNRACHE
SCHEMBL9846024 0.89 PPARG (0.47) PPARGAGTR1AGTR2APLNRACHE
SCHEMBL9846092 0.87 PPARG (0.45) PPARGAGTR1AGTR2APLNRACHE
SCHEMBL9846038 0.84 PPARG (0.41) PPARGAGTR1AGTR2APLNRACHE
SCHEMBL9311025 0.83 PPARG (0.49) PPARGAGTR1AGTR2APLNRACHE
SCHEMBL9845994 0.83 CYP19A1 (0.42) PPARGAGTR1AGTR2APLNRACHE
SCHEMBL9308844 0.81 PPARG (0.45) PPARGAGTR1AGTR2APLNRACHE
SCHEMBL9846040 0.81 APLNR (0.38) PPARGAGTR1AGTR2APLNRACHE
SCHEMBL9309735 0.80 PPARG (0.48) PPARGAGTR1AGTR2APLNRACHE
SCHEMBL9846033 0.79 PPARG (0.43) PPARGAGTR1AGTR2APLNRACHE

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