SCHEMBL8774295

SCHEMBL8774295

CCCc1ccc(C#Cc2cc(F)c(F)nc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.44
ACACB O00763 4/20 0.38
FFAR4 Q5NUL3 2/20 0.35
CHRM2 P08172 1/20 0.33
S1PR1 P21453 1/20 0.33
FPR1 P21462 1/20 0.33
FPR3 P25089 1/20 0.33
GPR183 P32249 1/20 0.33
APLNR P35414 1/20 0.33
GPR65 Q8IYL9 1/20 0.33

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
SCHEMBL8774994 0.96 FFAR1 (0.42) FFAR1ACACBFFAR4
SCHEMBL8774821 0.92 FFAR1 (0.43) FFAR1FFAR4
SCHEMBL8774374 0.90 FFAR1 (0.42) FFAR1FFAR4CHRM2
SCHEMBL8774302 0.89 HSD17B10 (0.43) FFAR1FFAR4CHRM2
SCHEMBL8774297 0.88 FFAR1 (0.40) FFAR1ACACBFFAR4
SCHEMBL8774912 0.88 TSHR (0.43) FFAR1S1PR1
SCHEMBL8774969 0.87 FFAR1 (0.42) FFAR1ACACBFFAR4
SCHEMBL8774909 0.87 HSD17B10 (0.48) FFAR1
SCHEMBL8978893 0.84 FFAR1 (0.43) FFAR1ACACBFFAR4CHRM2S1PR1
SCHEMBL8774750 0.84 FFAR1 (0.38) FFAR1ACACBFFAR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed