SCHEMBL8720642

SCHEMBL8720642

COC1C(c2ncn(C)n2)C(OCc2cccc3ccccc23)CCC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.36
BCHE P06276 5/20 0.36
CNR1 P21554 5/20 0.36
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC18A2 Q05940 1/20 0.33
KCNA5 P22460 1/20 0.32
SCN5A Q14524 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ACHE P22303 2/20 0.32
SSTR4 P31391 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
SCHEMBL8718085 0.83 CNR2 (0.33) CNR2BCHECNR1OPRM1OPRD1
SCHEMBL8714480 0.82 SLC18A2 (0.35) CNR2BCHECNR1OPRM1OPRD1
SCHEMBL8718081 0.78 PIN1 (0.33) CNR2CNR1OPRM1OPRD1OPRK1
SCHEMBL8715069 0.78 HRH3 (0.35) CNR2CNR1ACHEMEN1KMT2A
SCHEMBL8714510 0.77 PDE10A (0.39) MAPTHCRTR1HCRTR2MEN1KMT2A
SCHEMBL9241754 0.77 EPHX1 (0.36) OPRM1OPRD1OPRK1HCRTR1HCRTR2
SCHEMBL8716980 0.77 EPHX1 (0.36) OPRM1OPRD1OPRK1HCRTR1HCRTR2
SCHEMBL9244512 0.75 CNR2 (0.37) CNR2BCHECNR1OPRM1OPRD1
SCHEMBL9244509 0.75 GAA (0.38) OPRM1OPRD1OPRK1POLBMAPT
SCHEMBL9244519 0.75 GAA (0.38) OPRM1OPRD1OPRK1POLBMAPT

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