SCHEMBL9751649

SCHEMBL9751649

CCCc1ccc(CCc2ccc(-c3ccc(F)cc3F)cc2)cc1.CCCc1ccc(CCc2ccc(-c3ccc(OC(F)(F)F)cc3F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.49
GPR3 P46089 3/20 0.44
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
RARB P10826 1/20 0.39
FFAR4 Q5NUL3 3/20 0.39
FDFT1 P37268 1/20 0.38
FFAR1 O14842 2/20 0.38
HTR2A P28223 1/20 0.37
F2RL3 Q96RI0 1/20 0.37
CHRM5 P08912 2/20 0.36
PDE2A O00408 1/20 0.36
DAO P14920 1/20 0.36

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
SCHEMBL8990655 0.95 GRM2 (0.53) GRM2GPR3ALOX5APFEN1S1PR1
SCHEMBL9751652 0.89 GRM2 (0.43) GRM2GPR3ALOX5APFEN1S1PR1
SCHEMBL8990631 0.88 GRM2 (0.47) GRM2GPR3ALOX5APFEN1S1PR1
SCHEMBL9737693 0.88 GRM2 (0.47) GRM2GPR3ALOX5APFEN1S1PR1
SCHEMBL9227374 0.86 GRM2 (0.47) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL9221140 0.85 GRM2 (0.48) GRM2GPR3ALOX5APFEN1S1PR1
SCHEMBL8990699 0.85 RARB (0.49) GRM2RARBFFAR4FDFT1HTR2A
SCHEMBL9225207 0.84 GRM2 (0.47) GRM2GPR3ALOX5APFEN1S1PR1
SCHEMBL9221137 0.84 RARB (0.50) GRM2RARBFFAR4FDFT1HTR2A
SCHEMBL3163945 0.81 GRM2 (0.46) GRM2GPR3ALOX5APFEN1S1PR1

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-0429558-A1 DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE. MERCK PATENT GMBH (DE) 1991-06-05 EP disclosed