SCHEMBL904907

SCHEMBL904907

O=C1NCN(c2ccccc2)C12CCN(CCCC1c3ccccc3Sc3ccccc31)CC2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.56
OPRK1 P41145 6/20 0.56
OPRL1 P41146 6/20 0.56
DRD2 P14416 5/20 0.56
HRH1 P35367 5/20 0.56
DRD3 P35462 5/20 0.56
HTR2B P41595 5/20 0.56
OPRD1 P41143 5/20 0.56
HTR2A P28223 4/20 0.56
SLC6A4 P31645 4/20 0.56
HTR1A P08908 4/20 0.56
DRD4 P21917 4/20 0.56
HTR7 P34969 4/20 0.56
CYP1A2 P05177 3/20 0.56
ADRB1 P08588 3/20 0.56
CYP2D6 P10635 3/20 0.56
ADRA2B P18089 3/20 0.56
ADRA2C P18825 3/20 0.56
ADRA1A P35348 3/20 0.56
HTR6 P50406 3/20 0.56

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
SCHEMBL904933 0.90 OPRM1 (0.60) OPRM1OPRK1OPRL1DRD2HRH1
SCHEMBL904910 0.87 OPRM1 (0.66) OPRM1OPRK1OPRL1DRD2HRH1
SCHEMBL6402803 0.82 OPRM1 (0.74) OPRM1OPRK1OPRL1DRD2HRH1
SCHEMBL11669922 0.78 OPRM1 (0.71) OPRM1OPRK1OPRL1DRD2HRH1
SCHEMBL5296387 0.78 OPRM1 (0.67) OPRM1OPRK1OPRL1DRD2HRH1
SCHEMBL16256973 0.78 OPRM1 (0.67) OPRM1OPRK1OPRL1DRD2HRH1
SCHEMBL11932466 0.76 OPRM1 (0.72) OPRM1OPRK1OPRL1DRD2HRH1
SCHEMBL9070731 0.75 OPRM1 (0.56) OPRM1OPRK1OPRL1DRD2HRH1
SCHEMBL904846 0.75 OPRM1 (0.62) OPRM1OPRK1OPRL1DRD2HRH1
SCHEMBL10735272 0.74 DRD2 (0.86) OPRM1OPRK1OPRL1DRD2HRH1

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