SCHEMBL8714994

SCHEMBL8714994

Cn1ccnc1C1CC(C)(C)CCC1OCc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.36
HRH3 Q9Y5N1 2/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
EPHX1 P07099 1/20 0.33
CNR2 P34972 3/20 0.33
BCHE P06276 2/20 0.33
CNR1 P21554 2/20 0.33
KCNA5 P22460 2/20 0.33
SCN5A Q14524 2/20 0.33
STS P08842 1/20 0.33
ACHE P22303 1/20 0.33
GUSB P08236 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL8714480 0.81 SLC18A2 (0.35) SLC18A2HRH3OPRM1OPRD1OPRK1
SCHEMBL8718085 0.81 CNR2 (0.33) SLC18A2OPRM1OPRD1OPRK1EPHX1
SCHEMBL8714354 0.77 HRH3 (0.36) HRH3ACHESLC6A4
SCHEMBL8714391 0.77 PDE10A (0.38)
SCHEMBL8714990 0.76 STS (0.33) SLC18A2OPRM1OPRD1OPRK1EPHX1
SCHEMBL9244542 0.75 POLB (0.47) OPRM1OPRD1OPRK1
SCHEMBL9244520 0.75 POLB (0.47) OPRM1OPRD1OPRK1
SCHEMBL8715182 0.74 EPHX1 (0.38) SLC18A2HRH3OPRM1OPRD1OPRK1
SCHEMBL9250038 0.74 EPHX1 (0.38) SLC18A2HRH3OPRM1OPRD1OPRK1
SCHEMBL9244528 0.73 ADRA2A (0.46) OPRM1OPRD1OPRK1EPHX1CNR2

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