SCHEMBL9013320

SCHEMBL9013320

CCCCCC1(CCCCC2CCC(O)(c3ccc(F)c(F)c3)CC2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.40
SLC6A4 P31645 9/20 0.40
SLC6A2 P23975 8/20 0.40
OPRM1 P35372 3/20 0.34
OPRK1 P41145 3/20 0.34
OPRL1 P41146 3/20 0.34
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
CYP1A2 P05177 1/20 0.33
OPRD1 P41143 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
DRD2 P14416 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
SCHEMBL10798909 0.90 OPRM1 (0.39) SLC6A3SLC6A4SLC6A2OPRM1OPRK1
SCHEMBL9013287 0.89 CYP1A2 (0.32) OPRM1OPRK1OPRL1CNR1CNR2
SCHEMBL9013475 0.86 OPRM1 (0.33) OPRM1OPRK1OPRL1CYP1A2OPRD1
SCHEMBL9013683 0.86 SLC6A2 (0.41) SLC6A3SLC6A4SLC6A2OPRM1OPRK1
SCHEMBL9013291 0.83 OPRL1 (0.41) OPRM1OPRK1OPRL1OPRD1
SCHEMBL9013211 0.80 OPRL1 (0.35) SLC6A3SLC6A4SLC6A2OPRL1CYP1A2
SCHEMBL9827270 0.79 OPRM1 (0.47) SLC6A3SLC6A4SLC6A2OPRM1OPRK1
SCHEMBL9013558 0.78 SLC6A3 (0.58) SLC6A3SLC6A4SLC6A2CNR1CNR2
SCHEMBL9505513 0.77 OPRM1 (0.36) OPRM1OPRK1OPRL1CNR1CNR2
SCHEMBL9013422 0.77 SLC6A3 (0.57) SLC6A3SLC6A4SLC6A2CNR1CNR2

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