SCHEMBL904830

SCHEMBL904830

Fc1ccc(C(CCCN2CCC(n3cnc4ccccc43)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.60
SLC6A4 P31645 2/20 0.60
OPRM1 P35372 3/20 0.57
CYP2D6 P10635 2/20 0.57
CACNA1F O60840 2/20 0.57
DRD1 P21728 2/20 0.57
DRD4 P21917 2/20 0.57
HRH2 P25021 2/20 0.57
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
ADRA1A P35348 2/20 0.57
HRH1 P35367 2/20 0.57
DRD3 P35462 2/20 0.57
OPRD1 P41143 2/20 0.57
OPRK1 P41145 2/20 0.57
HTR6 P50406 2/20 0.57
CACNA1D Q01668 2/20 0.57
SLC6A3 Q01959 2/20 0.57
CACNA1S Q13698 2/20 0.57
CACNA1C Q13936 2/20 0.57

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
SCHEMBL904828 0.86 DRD3 (0.54) DRD2SLC6A4OPRM1CYP2D6CACNA1F
SCHEMBL5858616 0.85 DRD2 (0.69) DRD2SLC6A4OPRM1CYP2D6KMT2A
SCHEMBL3294008 0.83 DRD2 (0.62) DRD2SLC6A4DRD1HTR2AHRH1
SCHEMBL904850 0.81 USP2 (0.60) DRD2SLC6A4OPRM1CYP2D6CACNA1F
SCHEMBL5858744 0.78 DRD2 (0.68) DRD2SLC6A4OPRM1CYP2D6KMT2A
SCHEMBL17471517 0.77 CYP2D6 (0.60) DRD2SLC6A4OPRM1CYP2D6CACNA1F
SCHEMBL904848 0.77 HTR2A (0.57) DRD2SLC6A4OPRM1CYP2D6CACNA1F
SCHEMBL5860221 0.76 SLC6A4 (0.53) DRD2SLC6A4CYP2D6SLC6A3KMT2A
SCHEMBL10281564 0.75 CYP2D6 (0.58) DRD2SLC6A4OPRM1CYP2D6CACNA1F
SCHEMBL904826 0.75 HTR2A (0.58) DRD2SLC6A4OPRM1CYP2D6CACNA1F

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