SCHEMBL13586463

SCHEMBL13586463

CCC1CCC(c2ccc(OCC3CCC(c4ccc(C5CO5)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.37
▸ HTR2C P28335 5/20 0.37
▸ HTR2B P41595 4/20 0.37
▸ HTR2A P28223 3/20 0.37
▸ FPR2 P25090 1/20 0.35
▸ SCN9A Q15858 3/20 0.33
▸ KDM1A O60341 2/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ CNR1 P21554 1/20 0.32

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
SCHEMBL12822744 0.93 CNR2 (0.37) CNR2HTR2CHTR2BHTR2AFPR2
SCHEMBL12822882 0.92 HTR2A (0.36) CNR2HTR2CHTR2BHTR2AFPR2
SCHEMBL13586295 0.91 FPR2 (0.37) CNR2HTR2CHTR2BHTR2AFPR2
SCHEMBL12908334 0.89 CNR2 (0.37) CNR2HTR2CHTR2BHTR2AFPR2
SCHEMBL13586359 0.88 CNR2 (0.39) CNR2HTR2CHTR2BHTR2AFPR2
SCHEMBL12822967 0.88 CNR2 (0.39) CNR2HTR2CHTR2BHTR2AFPR2
SCHEMBL12822903 0.87 HTR2C (0.34) CNR2HTR2CHTR2BHTR2AFPR2
SCHEMBL13586372 0.87 FFAR1 (0.36) CNR2HTR2CHTR2BHTR2AFPR2
SCHEMBL12821162 0.87 HTR2C (0.35) CNR2HTR2CHTR2BHTR2AFPR2
SCHEMBL12994394 0.87 HTR2A (0.35) CNR2HTR2CHTR2BHTR2AFPR2

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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