SCHEMBL904824

SCHEMBL904824

N#CC1(c2ccccc2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.59
ADRA1A P35348 6/20 0.54
ADRA1D P25100 6/20 0.54
ADRA1B P35368 4/20 0.54
DRD2 P14416 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53
SLC6A2 P23975 2/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
SLC6A4 P31645 2/20 0.53
HRH1 P35367 2/20 0.53
DRD3 P35462 2/20 0.53
OPRD1 P41143 2/20 0.53
OPRK1 P41145 2/20 0.53
HTR2B P41595 2/20 0.53
HTR6 P50406 2/20 0.53
SLC6A3 Q01959 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53

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
SCHEMBL904840 0.95 CCR1 (0.53) OPRM1ADRA1AADRA1DADRA1BDRD2
SCHEMBL904869 0.91 OPRM1 (0.49) OPRM1ADRA1AADRA1DADRA1BDRD2
SCHEMBL904903 0.90 ADRA1A (0.55) OPRM1ADRA1AADRA1DADRA1BDRD2
SCHEMBL904906 0.90 DRD2 (0.48) OPRM1ADRA1AADRA1DADRA1BDRD2
SCHEMBL904861 0.90 CCR1 (0.61) OPRM1ADRA1DDRD2ADRA2BADRA2C
SCHEMBL904886 0.88 ADRA1A (0.49) OPRM1ADRA1AADRA1DADRA1BDRD2
SCHEMBL904868 0.88 DRD2 (0.54) OPRM1ADRA1AADRA1DADRA1BDRD2
SCHEMBL904842 0.86 OPRM1 (0.54) OPRM1ADRA1AADRA1DADRA1BDRD2
SCHEMBL12265184 0.83 OPRL1 (0.63) OPRM1ADRA1AADRA1DADRA1BOPRD1
SCHEMBL10043044 0.83 OPRM1 (0.57) OPRM1ADRA1AADRA1DADRA1BSLC6A2

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