SCHEMBL14766754

SCHEMBL14766754

CCCCOc1ccc(CCC2CCC(c3ccc(C4CCC(OCCCC)CC4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.37
CRBN Q96SW2 1/20 0.35
CNR1 P21554 4/20 0.34
HTR2A P28223 3/20 0.34
HTR1A P08908 6/20 0.33
HTR1D P28221 6/20 0.33
HTR1B P28222 6/20 0.33
FFAR1 O14842 2/20 0.33
GPR119 Q8TDV5 1/20 0.32
HTR2C P28335 1/20 0.32
SCN9A Q15858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL14766639 0.97 CNR2 (0.34) CNR2CRBNCNR1HTR2AHTR1A
SCHEMBL14766863 0.97 CNR2 (0.36) CNR2CRBNCNR1HTR2AHTR1A
SCHEMBL14766313 0.95 CNR2 (0.35) CNR2CRBNCNR1HTR1AHTR1D
SCHEMBL14766778 0.93 CNR2 (0.33) CNR2CRBNCNR1HTR2AFFAR1
SCHEMBL14766623 0.93 CNR2 (0.33) CNR2CRBNCNR1HTR2AFFAR1
SCHEMBL14765775 0.92 CNR2 (0.35) CNR2CRBNCNR1HTR1AHTR1D
SCHEMBL14765923 0.92 OPRL1 (0.33) CNR2CRBNCNR1GPR119SCN9A
SCHEMBL12739769 0.89 CNR2 (0.38) CNR2CRBNCNR1HTR2AFFAR1
SCHEMBL14765911 0.89 CNR2 (0.32) CNR2CRBNGPR119
SCHEMBL14765980 0.88 CNR2 (0.32) CNR2CRBN

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
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed