SCHEMBL904920

SCHEMBL904920

OC1(c2ccc(Br)cc2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.65
DRD3 P35462 5/20 0.65
SIGMAR1 Q99720 3/20 0.65
LMNA P02545 1/20 0.65
HTR1A P08908 3/20 0.64
SLC6A2 P23975 3/20 0.64
HTR2A P28223 3/20 0.64
SLC6A4 P31645 3/20 0.64
OPRM1 P35372 3/20 0.64
OPRK1 P41145 3/20 0.64
HTR2B P41595 3/20 0.64
SLC6A3 Q01959 3/20 0.64
ADRA2B P18089 2/20 0.64
ADRA2C P18825 2/20 0.64
HRH1 P35367 2/20 0.64
DRD1 P21728 2/20 0.64
DRD4 P21917 2/20 0.64
DRD5 P21918 2/20 0.64
HRH2 P25021 2/20 0.64
HTR1D P28221 2/20 0.64

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
SCHEMBL904900 0.94 DRD2 (0.72) DRD2DRD3SIGMAR1LMNAHTR1A
SCHEMBL904855 0.89 OPRL1 (0.69) DRD2DRD3SIGMAR1LMNAHTR1A
SCHEMBL904905 0.88 DRD2 (0.83) DRD2DRD3SIGMAR1LMNAHTR1A
SCHEMBL904857 0.88 DRD2 (0.65) DRD2DRD3SIGMAR1LMNAHTR1A
SCHEMBL904931 0.86 DRD2 (0.71) DRD2DRD3SIGMAR1LMNAHTR1A
SCHEMBL904906 0.83 DRD2 (0.48) DRD2DRD3SIGMAR1LMNAHTR1A
SCHEMBL904879 0.82 CYP3A4 (0.53) DRD2DRD3SIGMAR1LMNAHTR1A
SCHEMBL904890 0.82 DRD2 (0.66) DRD2DRD3SIGMAR1LMNAHTR1A
SCHEMBL4379525 0.82 DRD3 (0.58) DRD2DRD3SIGMAR1LMNAHTR1A
SCHEMBL904932 0.81 DRD3 (0.57) DRD2DRD3HTR1ASLC6A2HTR2A

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