SCHEMBL7068005

SCHEMBL7068005

COc1ccccc1Oc1cccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.84
OPRK1 P41145 2/20 0.66
OPRL1 P41146 1/20 0.66
DRD2 P14416 4/20 0.60
DRD4 P21917 4/20 0.60
OPRD1 P41143 1/20 0.60
DRD3 P35462 2/20 0.59
CCR8 P51685 1/20 0.56
CHRM1 P11229 1/20 0.55
KCNH2 Q12809 1/20 0.55
HSD11B1 P28845 1/20 0.55

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
SCHEMBL6497509 0.94 OPRM1 (0.82) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL6507423 0.93 OPRM1 (0.75) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL6503296 0.90 OPRM1 (0.73) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL6504180 0.90 OPRM1 (0.76) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL6506818 0.89 OPRM1 (0.72) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL6507053 0.89 OPRM1 (0.72) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL6504792 0.89 OPRM1 (0.72) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL6498522 0.89 OPRM1 (0.74) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL7067624 0.89 OPRM1 (0.74) OPRM1OPRK1OPRL1DRD2DRD4
SCHEMBL6507448 0.88 OPRM1 (0.71) OPRM1OPRK1OPRL1DRD2DRD4

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