SCHEMBL8714480

SCHEMBL8714480

Cn1cnc(C2CC(C)(C)CCC2OCc2cccc3ccccc23)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.35
CNR2 P34972 6/20 0.34
BCHE P06276 4/20 0.34
CNR1 P21554 4/20 0.34
HRH3 Q9Y5N1 2/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
STS P08842 1/20 0.33
KCNA5 P22460 3/20 0.32
SCN5A Q14524 3/20 0.32
ACHE P22303 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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 0.82 CNR2 (0.36) SLC18A2CNR2BCHECNR1OPRM1
SCHEMBL8714994 0.81 SLC18A2 (0.36) SLC18A2CNR2BCHECNR1HRH3
SCHEMBL8717661 0.78 HRH3 (0.36) CNR2CNR1HRH3ACHE
SCHEMBL8714990 0.75 STS (0.33) SLC18A2CNR2CNR1OPRM1OPRD1
SCHEMBL9250038 0.73 EPHX1 (0.38) SLC18A2HRH3OPRM1OPRD1OPRK1
SCHEMBL8715182 0.73 EPHX1 (0.38) SLC18A2HRH3OPRM1OPRD1OPRK1
SCHEMBL9244520 0.72 POLB (0.47) OPRM1OPRD1OPRK1POLB
SCHEMBL9244542 0.72 POLB (0.47) OPRM1OPRD1OPRK1POLB
SCHEMBL9248685 0.72 GAA (0.39) SLC18A2CNR2CNR1OPRM1OPRD1
SCHEMBL9248690 0.72 GAA (0.39) SLC18A2CNR2CNR1OPRM1OPRD1

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