SCHEMBL9013468

SCHEMBL9013468

CCCCCC1(CCCCC2CCC(c3cccc(F)c3)CC2)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.39
GRM2 Q14416 1/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
SLC6A2 P23975 1/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
DRD2 P14416 2/20 0.35
HTR1A P08908 2/20 0.34
DRD1 P21728 2/20 0.34
DRD4 P21917 2/20 0.34
DRD5 P21918 2/20 0.34
DRD3 P35462 2/20 0.34
MLYCD O95822 1/20 0.34

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
SCHEMBL729421 0.87 GRM2 (0.43) OPRL1GRM2KDM1ARCOR1DRD2
SCHEMBL872117 0.87 GRM2 (0.43) OPRL1GRM2KDM1ARCOR1DRD2
SCHEMBL9013476 0.86 DRD2 (0.40) GRM2KDM1ADRD2DRD1DRD4
SCHEMBL2853509 0.86 GRM2 (0.45) GRM2KDM1ARCOR1DRD2HTR1A
SCHEMBL9013211 0.85 OPRL1 (0.35) OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL871434 0.83 GRM2 (0.41) GRM2KDM1ARCOR1DRD2HTR1A
SCHEMBL8753812 0.83 GRM2 (0.41) GRM2KDM1ARCOR1DRD2HTR1A
SCHEMBL27871568 0.83 KDM1A (0.41) OPRL1GRM2KDM1ARCOR1DRD2
SCHEMBL9013393 0.83 MEN1 (0.34) OPRL1
SCHEMBL9013258 0.83 OPRL1 (0.35) OPRL1

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