SCHEMBL17897422

SCHEMBL17897422

CCCCCc1ccc(-c2ccc(-c3ccc(OCC4CCC(CCCCC)CC4)cc3)cc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.36
CNR2 P34972 9/20 0.36
KDM1A O60341 1/20 0.35
CNR1 P21554 5/20 0.33
PDK2 Q15119 1/20 0.33
GRM2 Q14416 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
SCHEMBL22277209 0.90 FFAR4 (0.33) FFAR4CNR2KDM1ACNR1PDK2
SCHEMBL17897387 0.89 CNR2 (0.41) CNR2CNR1
SCHEMBL17897391 0.89 CNR2 (0.40) CNR2CNR1
SCHEMBL17897389 0.89 CNR2 (0.40) CNR2CNR1
SCHEMBL22277512 0.88 FFAR4 (0.38) FFAR4KDM1APDK2GRM2
SCHEMBL22277197 0.88 FFAR4 (0.34) FFAR4CNR2KDM1ACNR1GRM2
SCHEMBL7752702 0.87 CNR2 (0.41) CNR2CNR1
SCHEMBL7751393 0.87 CNR2 (0.41) CNR2CNR1
SCHEMBL9405862 0.87 CNR2 (0.39) CNR2CNR1
SCHEMBL9405867 0.87 CNR2 (0.39) CNR2CNR1

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
US-20160194561-A1 DIFLUOROPHENYL LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2016-07-07 US disclosed