SCHEMBL904839

SCHEMBL904839

Fc1ccc(C(CCCN2CCC(N3CCc4ccccc43)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.54
OPRM1 P35372 5/20 0.54
OPRD1 P41143 4/20 0.54
OPRK1 P41145 4/20 0.54
HTR2A P28223 4/20 0.54
HTR2C P28335 3/20 0.54
ADRA1A P35348 3/20 0.54
HRH1 P35367 3/20 0.54
HTR6 P50406 3/20 0.54
SLC6A3 Q01959 3/20 0.54
CACNA1C Q13936 3/20 0.54
CACNA1F O60840 2/20 0.54
DRD1 P21728 2/20 0.54
DRD4 P21917 2/20 0.54
HRH2 P25021 2/20 0.54
CACNA1D Q01668 2/20 0.54
CACNA1S Q13698 2/20 0.54
SCN5A Q14524 2/20 0.54
MEN1 O00255 2/20 0.54
MLNR O43193 2/20 0.54

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
SCHEMBL5871383 0.90 DRD3 (0.51) DRD3HTR2ACYP1A2DRD2KDM4E
SCHEMBL904949 0.88 SIGMAR1 (0.46) DRD3OPRM1OPRD1OPRK1HTR2A
SCHEMBL3881201 0.83 OPRM1 (0.56) DRD3OPRM1OPRD1OPRK1HTR2A
SCHEMBL5871570 0.83 CCR3 (0.55) DRD3HTR2AHRH1CYP1A2CYP3A4
Fluorobenzene SCHEMBL27495584 0.83 DRD3 (0.47) DRD3OPRM1OPRD1OPRK1ADRA1A
SCHEMBL904847 0.82 HTR2A (0.54) DRD3OPRM1OPRD1OPRK1HTR2A
SCHEMBL5871252 0.82 HTR2A (0.58) DRD3HTR2AHRH1DRD1DRD4
SCHEMBL14349454 0.82 OPRM1 (0.53) DRD3OPRM1OPRD1OPRK1HTR2C
SCHEMBL904826 0.81 HTR2A (0.58) DRD3OPRM1OPRD1OPRK1HTR2A
SCHEMBL5871314 0.81 HTR5A (0.60) DRD3HTR2AHRH1DRD1MEN1

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