SCHEMBL13586359

SCHEMBL13586359

CCC1CCC(c2ccc(C3CCC(COc4ccc(C5CO5)c(F)c4F)CC3)c(F)c2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 14/20 0.39
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ HTR2B P41595 2/20 0.37
▸ FPR2 P25090 1/20 0.35
▸ CNR1 P21554 2/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ SCN9A Q15858 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
SCHEMBL12822967 1.00 CNR2 (0.39) CNR2HTR2AHTR2CHTR2BFPR2
SCHEMBL12388763 0.91 HTR2C (0.38) CNR2HTR2AHTR2CHTR2BFPR2
SCHEMBL13586282 0.91 CNR2 (0.36) CNR2HTR2AHTR2CHTR2BFPR2
SCHEMBL12821510 0.91 CNR2 (0.36) CNR2HTR2AHTR2CHTR2BFPR2
SCHEMBL13654119 0.90 FPR2 (0.41) CNR2HTR2AHTR2CHTR2BFPR2
SCHEMBL12822744 0.89 CNR2 (0.37) CNR2HTR2AHTR2CHTR2BFPR2
SCHEMBL13586230 0.89 FPR2 (0.36) CNR2HTR2AHTR2CHTR2BFPR2
SCHEMBL12735766 0.89 CNR2 (0.38) CNR2HTR2AHTR2CHTR2BCNR1
SCHEMBL12740618 0.89 CNR2 (0.38) CNR2HTR2AHTR2CHTR2BCNR1
SCHEMBL13586463 0.88 CNR2 (0.37) CNR2HTR2AHTR2CHTR2BFPR2

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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
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