SCHEMBL904893

SCHEMBL904893

OC1(c2cccc(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.75
OPRL1 P41146 6/20 0.75
OPRD1 P41143 4/20 0.75
DRD2 P14416 6/20 0.69
DRD3 P35462 5/20 0.69
OPRK1 P41145 4/20 0.69
HTR1A P08908 3/20 0.69
DRD1 P21728 3/20 0.69
DRD4 P21917 3/20 0.69
DRD5 P21918 3/20 0.69
SLC6A2 P23975 3/20 0.69
HRH2 P25021 3/20 0.69
HTR1D P28221 3/20 0.69
HTR2A P28223 3/20 0.69
HTR2C P28335 3/20 0.69
SLC6A4 P31645 3/20 0.69
HTR7 P34969 3/20 0.69
HTR2B P41595 3/20 0.69
HTR6 P50406 3/20 0.69
SLC6A3 Q01959 3/20 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
SCHEMBL11792849 0.92 SIGMAR1 (0.67) OPRM1OPRL1OPRD1DRD2DRD3
SCHEMBL904890 0.88 DRD2 (0.66) OPRM1OPRL1OPRD1DRD2DRD3
SCHEMBL904931 0.87 DRD2 (0.71) OPRM1OPRL1OPRD1DRD2DRD3
SCHEMBL904855 0.85 OPRL1 (0.69) OPRM1OPRL1OPRD1DRD2DRD3
SCHEMBL904981 0.85 DRD2 (0.63) OPRM1OPRL1OPRD1DRD2DRD3
SCHEMBL904842 0.85 OPRM1 (0.54) OPRM1OPRL1OPRD1DRD2DRD3
SCHEMBL904874 0.84 TACR3 (0.57) OPRM1OPRL1OPRD1DRD2DRD3
SCHEMBL904900 0.83 DRD2 (0.72) OPRM1OPRL1OPRD1DRD2DRD3
SCHEMBL14117480 0.83 OPRL1 (0.74) OPRM1OPRL1OPRD1DRD2DRD3
SCHEMBL904925 0.83 OPRM1 (0.52) OPRM1OPRL1OPRD1DRD2DRD3

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