SCHEMBL9013475

SCHEMBL9013475

CCCCCC1(CCCCC2CCC(O)(c3cc(F)c(C(F)(F)F)c(F)c3)CC2)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.33
OPRK1 P41145 3/20 0.33
OPRL1 P41146 3/20 0.33
OPRD1 P41143 1/20 0.30
CYP1A2 P05177 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL9013287 0.90 CYP1A2 (0.32) OPRM1OPRK1OPRL1CYP1A2
SCHEMBL9013320 0.86 SLC6A3 (0.40) OPRM1OPRK1OPRL1OPRD1CYP1A2
SCHEMBL9014291 0.83 MEN1 (0.33) OPRL1CYP1A2
SCHEMBL9013683 0.81 SLC6A2 (0.41) OPRM1OPRK1OPRL1OPRD1
SCHEMBL9013291 0.80 OPRL1 (0.41) OPRM1OPRK1OPRL1OPRD1
SCHEMBL9013691 0.79 CNR2 (0.40)
SCHEMBL9505513 0.79 OPRM1 (0.36) OPRM1OPRK1OPRL1OPRD1CYP1A2
SCHEMBL9013186 0.78 CNR2 (0.42)
SCHEMBL9013658 0.78 CNR2 (0.42)
SCHEMBL9013483 0.78 CNR2 (0.42)

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