SCHEMBL10768406

SCHEMBL10768406

CNC(=O)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.63
KCNH2 Q12809 5/20 0.63
HRH1 P35367 2/20 0.63
ADRA2A P08913 1/20 0.63
ADRA2B P18089 1/20 0.63
ADRA2C P18825 1/20 0.63
DRD4 P21917 1/20 0.63
HRH2 P25021 1/20 0.63
SLC6A4 P31645 1/20 0.63
ADRA1A P35348 1/20 0.63
SCN5A Q14524 1/20 0.63
HRH3 Q9Y5N1 1/20 0.63
CYP2D6 P10635 6/20 0.58
MAPK1 P28482 2/20 0.58
CHRM2 P08172 6/20 0.56
CHRM1 P11229 6/20 0.56
HTR1A P08908 3/20 0.56
LMNA P02545 2/20 0.56
OPRD1 P41143 1/20 0.53
MEN1 O00255 1/20 0.51

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
Norpipanone SCHEMBL25085 0.83 OPRM1 (0.75) OPRM1KCNH2HRH1CYP2D6MAPK1
Norpipanone SCHEMBL316886 0.82 OPRM1 (0.73) OPRM1KCNH2HRH1CYP2D6MAPK1
Fenpipramide SCHEMBL149504 0.81 CHRM2 (0.60) OPRM1KCNH2HRH1CYP2D6MAPK1
SCHEMBL219257 0.81 CHRM2 (0.60) OPRM1KCNH2HRH1CYP2D6MAPK1
SCHEMBL1492481 0.81 OPRM1 (0.63) OPRM1KCNH2HRH1ADRA2ADRD4
Fenpipramide SCHEMBL11716116 0.81 OPRM1 (0.56) OPRM1KCNH2HRH1CYP2D6MAPK1
Fenpipramide SCHEMBL7558279 0.80 CHRM2 (0.59) OPRM1KCNH2HRH1CYP2D6MAPK1
SCHEMBL11722508 0.79 CYP2D6 (0.57) OPRM1KCNH2HRH1CYP2D6MAPK1
SCHEMBL12387673 0.78 OPRM1 (1.00) OPRM1KCNH2HRH1ADRA2AADRA2B
SCHEMBL2313168 0.78 OPRM1 (1.00) OPRM1KCNH2HRH1ADRA2AADRA2B

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
EP-0219898-A1 Novel alpha,alpha-diaryl-4-aryl-4-hydroxy-1-piperidinebutanamide, N-oxides JANSSEN PHARMACEUTICA N.V. (BE) 1987-04-29 EP disclosed