SCHEMBL13586295

SCHEMBL13586295

COC1CCC(c2ccc(OCC3CCC(c4ccc(C5CO5)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.37
▸ HTR2A P28223 3/20 0.36
▸ HTR2C P28335 3/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ SCN9A Q15858 6/20 0.35
▸ OPRL1 P41146 1/20 0.34
▸ CNR2 P34972 4/20 0.33
▸ GPR119 Q8TDV5 3/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ SCN5A Q14524 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
SCHEMBL12821156 0.93 FPR2 (0.38) FPR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL13586463 0.91 CNR2 (0.37) FPR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL12822882 0.89 HTR2A (0.36) FPR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL13586230 0.88 FPR2 (0.36) FPR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL12822903 0.86 HTR2C (0.34) FPR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL13586372 0.86 FFAR1 (0.36) FPR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL12821162 0.86 HTR2C (0.35) FPR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL12908334 0.86 CNR2 (0.37) FPR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL12717035 0.84 FPR2 (0.40) FPR2HTR2AHTR2CHTR2BSCN9A
SCHEMBL12994394 0.84 HTR2A (0.35) FPR2HTR2AHTR2CHTR2BSCN9A

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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