SCHEMBL13264337

SCHEMBL13264337

CCCC1CCC(C2CCC(C3CCC(CCc4ccc(C5CO5)c(F)c4Cl)CC3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.33
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
OPRL1 P41146 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
SCHEMBL13264438 1.00 CEL (0.33) CELHTR2AHTR2COPRL1
SCHEMBL13264587 0.93 CEL (0.32) CEL
SCHEMBL13264589 0.93 CEL (0.33) CELHTR2AHTR2COPRL1
SCHEMBL13264588 0.91 CEL (0.33) CELHTR2AHTR2COPRL1
SCHEMBL13264404 0.91 CEL (0.33) CELHTR2AHTR2COPRL1
SCHEMBL3572087 0.89 HTR2A (0.31) HTR2AHTR2C
SCHEMBL13235644 0.86 OPRL1 (0.39) CELHTR2AHTR2COPRL1
SCHEMBL13264336 0.86 CEL (0.32) CEL
SCHEMBL13264333 0.86 CEL (0.32) CEL
SCHEMBL13066800 0.86

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-7758931-B2 Chlorofluorobenzene liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2010-07-20 US disclosed