SCHEMBL14765748

SCHEMBL14765748

CCCCOc1ccc(-c2ccc(C3CCC4(CC3)OCCO4)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP1A2 P05177 4/20 0.36
CYP2D6 P10635 4/20 0.36
MAPK1 P28482 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CYP19A1 P11511 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR2A P28223 1/20 0.36
SCN1A P35498 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN2A Q99250 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL424339 0.83 GPR119 (0.36) GPR119CHRM2CHRM1CYP1A2MAPK1
SCHEMBL12733573 0.81 PDE10A (0.36) MAPK1ALDH1A1LMNAPDE10A
SCHEMBL28435922 0.81 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL11917372 0.80 PDE10A (0.33) GPR119PDE10A
SCHEMBL14765745 0.80 HRH3 (0.40) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL14765749 0.80 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL12821173 0.79 TRPV3 (0.35)
SCHEMBL17086819 0.79 HTR2A (0.41) CHRM2CHRM1CHRM4CHRM5CHRM3
SCHEMBL10010236 0.79 GPR119 (0.37) GPR119ALDH1A1USP2PDE10ARAB9A
SCHEMBL14765750 0.79 CHRM2 (0.38) CHRM2CHRM1CHRM4CHRM5CHRM3

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-2305627-B1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2014-09-17 EP disclosed
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