SCHEMBL9751652

SCHEMBL9751652

CCCc1ccc(CC(c2ccc(-c3ccc(F)cc3F)cc2)C(Cc2ccc(-c3ccc(OC(F)(F)F)cc3F)cc2)c2ccc(CCC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.43
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
GPR3 P46089 1/20 0.38
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
RARB P10826 1/20 0.36
FDFT1 P37268 1/20 0.36
CNR1 P21554 2/20 0.36
GCGR P47871 1/20 0.36
DPP4 P27487 2/20 0.35
FFAR4 Q5NUL3 4/20 0.35
FFAR1 O14842 3/20 0.35
PDE2A O00408 1/20 0.34
APP P05067 1/20 0.33
CYP2C19 P33261 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
CNR2 P34972 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
SCHEMBL9751649 0.89 GRM2 (0.49) GRM2ALOX5APFEN1GPR3S1PR1
SCHEMBL8990655 0.84 GRM2 (0.53) GRM2ALOX5APFEN1GPR3S1PR1
SCHEMBL9737691 0.79 GRM2 (0.42) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL9737693 0.78 GRM2 (0.47) GRM2ALOX5APFEN1GPR3S1PR1
SCHEMBL8990631 0.78 GRM2 (0.47) GRM2ALOX5APFEN1GPR3S1PR1
SCHEMBL9227374 0.78 GRM2 (0.47) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL9221140 0.78 GRM2 (0.48) GRM2ALOX5APFEN1GPR3S1PR1
SCHEMBL9225207 0.77 GRM2 (0.47) GRM2ALOX5APFEN1GPR3S1PR1
SCHEMBL9221137 0.76 RARB (0.50) GRM2RARBFDFT1CNR1GCGR
SCHEMBL10379736 0.76 RARB (0.41) GRM2S1PR1S1PR3RARBCNR1

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