SCHEMBL904885

SCHEMBL904885

COc1cccc(C(CCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c2cccc(OC)c2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.69
CHRM1 P11229 4/20 0.69
DRD2 P14416 4/20 0.69
OPRD1 P41143 3/20 0.69
KCNH2 Q12809 3/20 0.69
DRD3 P35462 3/20 0.69
CYP2D6 P10635 2/20 0.69
KDM4E B2RXH2 2/20 0.69
ALDH1A1 P00352 2/20 0.69
PMP22 Q01453 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
OPRK1 P41145 2/20 0.69
HTR1A P08908 2/20 0.69
DRD4 P21917 2/20 0.69
HTR2A P28223 2/20 0.69
ADRA1A P35348 2/20 0.69
MEN1 O00255 1/20 0.69
SLC22A2 O15244 1/20 0.69
MLNR O43193 1/20 0.69
CACNA1G O43497 1/20 0.69

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
SCHEMBL904892 0.89 OPRM1 (0.70) OPRM1CHRM1DRD2OPRD1KCNH2
SCHEMBL6779973 0.89 OPRM1 (0.59) OPRM1CHRM1DRD2OPRD1KCNH2
SCHEMBL904884 0.88 OPRM1 (0.72) OPRM1CHRM1DRD2OPRD1KCNH2
SCHEMBL904875 0.86 OPRM1 (0.72) OPRM1CHRM1DRD2OPRD1KCNH2
SCHEMBL904856 0.86 DRD2 (0.82) OPRM1CHRM1DRD2OPRD1KCNH2
SCHEMBL6888823 0.86 PLD2 (0.60) OPRM1CHRM1DRD2OPRD1KCNH2
SCHEMBL6778528 0.84 OPRM1 (0.57) OPRM1CHRM1DRD2OPRD1KCNH2
SCHEMBL6780806 0.84 HSD11B1 (0.57) OPRM1CHRM1DRD2OPRD1KCNH2
SCHEMBL904891 0.83 OPRM1 (0.72) OPRM1CHRM1DRD2OPRD1KCNH2
SCHEMBL6774082 0.83 TACR2 (0.56) OPRM1CHRM1DRD2OPRD1KCNH2

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
WO-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed