SCHEMBL5585764

SCHEMBL5585764

CCCCN1CCC1(OCCC)OCCC

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
SIGMAR1 Q99720 2/20 0.30
LTA4H P09960 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
HTR2A P28223 1/20 0.30
MAPK1 P28482 1/20 0.30
SCN1A P35498 1/20 0.30
HTR2B P41595 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCN2A Q99250 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
SCHEMBL5585801 0.89 MAPK1 (0.32) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL5585727 0.87 LTA4H (0.34) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL5585642 0.83 LTA4H (0.32) SIGMAR1LTA4H
SCHEMBL5585804 0.80 DRD2 (0.35) MEN1KMT2ADRD2DRD3SIGMAR1
SCHEMBL5586062 0.78 LTA4H (0.36) MEN1KMT2ALTA4HALDH1A1CYP1A2
SCHEMBL5585687 0.77 OPRM1 (0.32) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5585662 0.76 SIGMAR1 (0.31) MEN1KMT2ADRD2DRD3SIGMAR1
SCHEMBL5585718 0.75 OPRM1 (0.32) OPRM1OPRD1OPRK1OPRL1
SCHEMBL5586042 0.72
SCHEMBL1134144 0.69 DRD2 (0.33) MEN1KMT2ADRD2DRD3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836238-A1 FUNCTIONALIZED POLYMERS AND IMPROVED TIRES THEREFROM Bridgestone Corporation (JP) 2007-09-26 EP disclosed
WO-2006076629-A1 FUNCTIONALIZED POLYMERS AND IMPROVED TIRES THEREFROM BRIDGESTONE CORPORATION (JP) 2006-07-20 WO disclosed