SCHEMBL7064940

SCHEMBL7064940

O=C1NCC(Cc2ccc3c(c2)[nH]c(=O)n3C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)O1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.57
OPRK1 P41145 1/20 0.52
OPRL1 P41146 1/20 0.52
CHRM1 P11229 1/20 0.51
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49

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
SCHEMBL6496007 0.81 OPRM1 (0.83) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL7070238 0.81 OPRM1 (0.65) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6504138 0.81 CHRM1 (0.77) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6507890 0.79 CYP3A4 (0.49) OPRM1OPRL1DRD2DRD4
SCHEMBL6505610 0.79 OPRM1 (0.68) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6507099 0.78 OPRM1 (0.65) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL7063356 0.76 OPRM1 (0.59) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6504966 0.76 OPRM1 (0.70) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6497550 0.74 OPRM1 (0.67) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6504972 0.73 OPRM1 (0.68) OPRM1OPRK1OPRL1CHRM1DRD2

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-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 WO disclosed