SCHEMBL7063356

SCHEMBL7063356

CCCCC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.59
OPRK1 P41145 2/20 0.52
OPRL1 P41146 1/20 0.52
CHRM1 P11229 3/20 0.51
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PMP22 Q01453 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CCR8 P51685 3/20 0.49
CYP2D6 P10635 2/20 0.49
MLNR O43193 1/20 0.49
LMNA P02545 1/20 0.49
PGR P06401 1/20 0.49
ADRB2 P07550 1/20 0.49
CHRM2 P08172 1/20 0.49
ADRB1 P08588 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 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
SCHEMBL6507099 0.88 OPRM1 (0.65) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6496007 0.81 OPRM1 (0.83) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6504138 0.81 CHRM1 (0.77) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL7070238 0.80 OPRM1 (0.65) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6505610 0.79 OPRM1 (0.68) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6495892 0.77 CCR8 (0.53) OPRM1OPRL1DRD2DRD4KDM4E
SCHEMBL3104380 0.76 OPRM1 (0.52) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL7064940 0.76 OPRM1 (0.57) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6504966 0.76 OPRM1 (0.70) OPRM1OPRK1OPRL1CHRM1DRD2
SCHEMBL6498719 0.74 OPRM1 (0.73) 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