SCHEMBL8718085

SCHEMBL8718085

COC1C(c2nccn2C)C(OCc2cccc3ccccc23)CCC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.33
BCHE P06276 4/20 0.33
CNR1 P21554 3/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
SLC18A2 Q05940 1/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
EPHX1 P07099 1/20 0.31
STS P08842 1/20 0.31
KCNA5 P22460 1/20 0.31
SCN5A Q14524 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL8720642 0.83 CNR2 (0.36) CNR2BCHECNR1OPRM1OPRD1
SCHEMBL8714994 0.81 SLC18A2 (0.36) CNR2BCHECNR1OPRM1OPRD1
SCHEMBL8714475 0.79 HRH3 (0.34) AXLMERTKHTR2CSLC6A4
SCHEMBL8714661 0.78 PDE10A (0.36) HCRTR1HCRTR2
SCHEMBL8718081 0.77 PIN1 (0.33) CNR2CNR1OPRM1OPRD1OPRK1
SCHEMBL9247259 0.75 POLB (0.47) OPRM1OPRD1OPRK1
SCHEMBL9247262 0.75 POLB (0.47) OPRM1OPRD1OPRK1
SCHEMBL9241754 0.75 EPHX1 (0.36) OPRM1OPRD1OPRK1EPHX1STS
SCHEMBL8716980 0.75 EPHX1 (0.36) OPRM1OPRD1OPRK1EPHX1STS
SCHEMBL9247260 0.74 ADRA2A (0.44) CNR2BCHECNR1OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719291-A FUNGICIDE HOFFMANN-LA ROCHE INC. (US) 1998-02-17 US disclosed