SCHEMBL12994394

SCHEMBL12994394

CCCc1ccc(OCC2CCC(c3ccc(C4CO4)cc3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.35
▸ HTR2C P28335 3/20 0.35
▸ HTR2B P41595 2/20 0.35
▸ CNR2 P34972 9/20 0.34
▸ SCN9A Q15858 3/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ KDM1A O60341 2/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ CNR1 P21554 1/20 0.31

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
SCHEMBL12907043 0.92 FPR2 (0.34) HTR2AHTR2CHTR2BCNR2SCN9A
SCHEMBL12908334 0.92 CNR2 (0.37) HTR2AHTR2CHTR2BCNR2SCN9A
SCHEMBL12822882 0.87 HTR2A (0.36) HTR2AHTR2CHTR2BCNR2SCN9A
SCHEMBL13586463 0.87 CNR2 (0.37) HTR2AHTR2CHTR2BCNR2SCN9A
SCHEMBL13654132 0.87 CNR2 (0.34) HTR2AHTR2CHTR2BCNR2SCN9A
SCHEMBL12994764 0.86 OPRL1 (0.37) HTR2AHTR2COPRL1
SCHEMBL13586558 0.85 FPR2 (0.33) HTR2AHTR2CHTR2BCNR2SCN9A
SCHEMBL10302369 0.85 HTR1A (0.35) HTR2AHTR2CHTR2BCNR2SCN9A
SCHEMBL13586295 0.84 FPR2 (0.37) HTR2AHTR2CHTR2BCNR2SCN9A
SCHEMBL12907045 0.84 CNR2 (0.35) HTR2AHTR2CHTR2BCNR2SCN9A

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
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 — — EP disclosed
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