SCHEMBL9845994

SCHEMBL9845994

CCCCc1nc(O)c(Cc2cccc(-c3ccccc3C#N)c2)c(CCCC)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
APLNR P35414 3/20 0.39
PPARG P37231 2/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
GABRA1 P14867 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
FFAR1 O14842 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
ACHE P22303 1/20 0.35
GABRA2 P47869 2/20 0.34
ESR2 Q92731 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34

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 0.89 PPARG (0.45) APLNRPPARGAGTR1AGTR2ACHE
SCHEMBL9846024 0.86 PPARG (0.47) APLNRPPARGAGTR1AGTR2ACHE
SCHEMBL9846092 0.84 PPARG (0.45) APLNRPPARGAGTR1AGTR2ACHE
SCHEMBL9846040 0.84 APLNR (0.38) APLNRPPARGAGTR1AGTR2ACHE
SCHEMBL9846015 0.83 PPARG (0.45) APLNRPPARGAGTR1AGTR2FFAR1
SCHEMBL9846038 0.81 PPARG (0.41) APLNRPPARGAGTR1AGTR2ACHE
SCHEMBL9311025 0.81 PPARG (0.49) APLNRPPARGAGTR1AGTR2FFAR1
SCHEMBL9846027 0.79 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9308844 0.79 PPARG (0.45) APLNRPPARGAGTR1AGTR2ACHE
SCHEMBL9846117 0.78 APLNR (0.44) APLNRCTSSCTSK

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