SCHEMBL14766639

SCHEMBL14766639

CCCCOC1CCC(c2ccc(C3CCC(CCc4ccc(OCC)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.34
CRBN Q96SW2 1/20 0.33
HTR2A P28223 3/20 0.32
HTR2C P28335 2/20 0.32
PPARD Q03181 1/20 0.32
CNR1 P21554 4/20 0.32
SCN9A Q15858 1/20 0.32
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
FFAR1 O14842 3/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
OPRL1 P41146 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL14766754 0.97 CNR2 (0.37) CNR2CRBNHTR2AHTR2CCNR1
SCHEMBL14765923 0.95 OPRL1 (0.33) CNR2CRBNPPARDCNR1SCN9A
SCHEMBL14766863 0.94 CNR2 (0.36) CNR2CRBNHTR2AHTR2CCNR1
SCHEMBL14766313 0.92 CNR2 (0.35) CNR2CRBNCNR1HTR1AHTR1D
SCHEMBL14767112 0.92 HTR2A (0.34) HTR2AHTR2CFFAR1OPRL1GPR119
SCHEMBL12739760 0.91 CNR2 (0.36) CNR2CRBNHTR2AHTR2CCNR1
SCHEMBL14766778 0.91 CNR2 (0.33) CNR2CRBNHTR2ACNR1FFAR1
SCHEMBL14766623 0.90 CNR2 (0.33) CNR2CRBNHTR2ACNR1SCN9A
SCHEMBL12739759 0.89 HTR2A (0.35) HTR2AHTR2CFFAR1OPRL1
SCHEMBL14765775 0.89 CNR2 (0.35) CNR2CRBNCNR1HTR1AHTR1D

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