SCHEMBL13586372

SCHEMBL13586372

CC(O)C1CCC(c2ccc(OCC3CCC(c4ccc(C5CO5)cc4F)CC3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 9/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35
▸ FPR2 P25090 1/20 0.35
▸ HTR2A P28223 3/20 0.34
▸ HTR2C P28335 3/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ SCN9A Q15858 2/20 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
SCHEMBL12716952 0.94 FPR2 (0.36) FFAR1GPR119FPR2HTR2AHTR2C
SCHEMBL12822778 0.89 CNR2 (0.34) FFAR1GPR119FPR2HTR2AHTR2C
SCHEMBL13586280 0.89 FFAR1 (0.35) FFAR1FPR2HTR2AHTR2CHTR2B
SCHEMBL10303237 0.88 HTR2A (0.35) FFAR1GPR119FPR2HTR2AHTR2C
SCHEMBL13586463 0.87 CNR2 (0.37) FPR2HTR2AHTR2CHTR2BCNR2
SCHEMBL13586295 0.86 FPR2 (0.37) FFAR1GPR119FPR2HTR2AHTR2C
SCHEMBL12822882 0.85 HTR2A (0.36) FPR2HTR2AHTR2CHTR2BCNR2
SCHEMBL13586561 0.85 FPR2 (0.34) FFAR1GPR119FPR2HTR2AHTR2C
SCHEMBL12821709 0.85 KDM1A (0.41) FFAR1FPR2CNR2SCN9ASCN5A
SCHEMBL12823094 0.83 FFAR1 (0.43) FFAR1GPR119CNR2

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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