SCHEMBL9564012

SCHEMBL9564012

CCCCCCCCC1(CCCCC2(c3ccc(OC(F)(F)F)cc3)CCCCC2)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.45
SLC6A3 Q01959 10/20 0.45
SLC6A2 P23975 4/20 0.45
CNR1 P21554 3/20 0.44
CNR2 P34972 3/20 0.44
S1PR1 P21453 1/20 0.43
ICMT O60725 1/20 0.38

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
SCHEMBL9563883 1.00 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2CNR1CNR2
SCHEMBL9563930 1.00 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2CNR1CNR2
SCHEMBL9563865 1.00 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2CNR1CNR2
SCHEMBL9563801 0.96 SLC6A4 (0.46) SLC6A4SLC6A3SLC6A2CNR1CNR2
SCHEMBL10590549 0.84 S1PR1 (0.47) SLC6A4SLC6A3SLC6A2CNR1CNR2
SCHEMBL9013265 0.84 SLC6A3 (0.57) SLC6A4SLC6A3SLC6A2CNR1CNR2
SCHEMBL9013189 0.84 SLC6A3 (0.57) SLC6A4SLC6A3SLC6A2CNR1CNR2
SCHEMBL9013416 0.84 SLC6A3 (0.57) SLC6A4SLC6A3SLC6A2CNR1CNR2
SCHEMBL9013294 0.84 SLC6A3 (0.57) SLC6A4SLC6A3SLC6A2CNR1CNR2
SCHEMBL9013381 0.82 SLC6A3 (0.58) SLC6A4SLC6A3SLC6A2CNR1CNR2

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-0568040-A1 Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1993-11-03 EP disclosed