SCHEMBL904910

SCHEMBL904910

O=C1NCN(c2ccccc2)C12CCN(CCCC1c3ccccc3CCc3ccccc31)CC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.66
OPRK1 P41145 12/20 0.66
OPRL1 P41146 10/20 0.66
OPRD1 P41143 9/20 0.66
PLD2 O14939 1/20 0.58
PLD1 Q13393 1/20 0.58
DRD3 P35462 3/20 0.57
HTR2C P28335 2/20 0.57
AVPR1A P37288 2/20 0.57
NR1I2 O75469 2/20 0.56
CYP1A2 P05177 2/20 0.56
ADRB2 P07550 2/20 0.56
ADRB1 P08588 2/20 0.56
CYP2D6 P10635 2/20 0.56
MAPT P10636 2/20 0.56
DRD2 P14416 2/20 0.56
ADRA2B P18089 2/20 0.56
ADRA2C P18825 2/20 0.56
HTR2A P28223 2/20 0.56
SLC6A4 P31645 2/20 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 0.91 OPRM1 (0.60) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL904907 0.87 OPRM1 (0.56) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL6402803 0.83 OPRM1 (0.74) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL16256973 0.79 OPRM1 (0.67) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL11669922 0.79 OPRM1 (0.71) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL5296387 0.79 OPRM1 (0.67) OPRM1OPRK1OPRL1OPRD1DRD3
SCHEMBL11729207 0.77 OPRM1 (0.63) OPRM1OPRK1OPRL1OPRD1PLD2
SCHEMBL11728223 0.77 OPRM1 (0.63) OPRM1OPRK1OPRL1OPRD1PLD2
SCHEMBL11730437 0.77 OPRM1 (0.63) OPRM1OPRK1OPRL1OPRD1PLD2
SCHEMBL11729380 0.77 OPRM1 (0.63) OPRM1OPRK1OPRL1OPRD1PLD2

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