SCHEMBL9013700

SCHEMBL9013700

CCCCC1(CCCCC2(c3ccc(C#N)c(F)c3)CCCCC2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.42
CNR1 P21554 3/20 0.42
SLC6A3 Q01959 13/20 0.42
SLC6A4 P31645 12/20 0.42
SLC6A2 P23975 6/20 0.42
PGR P06401 1/20 0.35
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
RORC P51449 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
SCHEMBL9013629 0.98 CNR1 (0.45) CNR2CNR1SLC6A3SLC6A4SLC6A2
SCHEMBL9013299 0.97 CNR1 (0.47) CNR2CNR1SLC6A3SLC6A4SLC6A2
SCHEMBL9013492 0.97 CNR1 (0.47) CNR2CNR1SLC6A3SLC6A4SLC6A2
SCHEMBL9013679 0.97 CNR1 (0.47) CNR2CNR1SLC6A3SLC6A4SLC6A2
SCHEMBL9013217 0.97 CNR1 (0.47) CNR2CNR1SLC6A3SLC6A4SLC6A2
SCHEMBL9013341 0.85 SLC6A3 (0.58) CNR2CNR1SLC6A3SLC6A4SLC6A2
SCHEMBL9013558 0.83 SLC6A3 (0.58) CNR2CNR1SLC6A3SLC6A4SLC6A2
SCHEMBL9013337 0.82 SLC6A3 (0.57) CNR2CNR1SLC6A3SLC6A4SLC6A2
SCHEMBL9013422 0.82 SLC6A3 (0.57) CNR2CNR1SLC6A3SLC6A4SLC6A2
SCHEMBL9013382 0.82 SLC6A3 (0.57) CNR2CNR1SLC6A3SLC6A4SLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0568040-B1 Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORP (JP) 1996-12-04 EP disclosed
US-5468421-A Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1995-11-21 US disclosed
EP-0568040-A1 Cyclohexane derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1993-11-03 EP disclosed