SCHEMBL7702484

SCHEMBL7702484

CCc1cccc2c(C3CCN(CC4CCN(/C=C/C(=O)c5ccc(Cl)c(Cl)c5)CC4)CC3)c[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
CCR2 P41597 17/20 0.48
SLC2A1 P11166 2/20 0.43

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
SCHEMBL7696975 0.93 SLC2A1 (0.49) OPRM1OPRK1OPRL1CCR2SLC2A1
SCHEMBL7702544 0.87 CCR2 (0.62) CCR2SLC2A1
SCHEMBL7701223 0.84 CCR2 (0.49) OPRM1OPRK1OPRL1CCR2SLC2A1
SCHEMBL7703003 0.82 CCR2 (0.62) OPRM1OPRK1OPRL1CCR2SLC2A1
SCHEMBL7695531 0.81 CCR2 (0.52) OPRM1OPRK1OPRL1CCR2SLC2A1
SCHEMBL7702941 0.81 CCR2 (0.51) OPRM1OPRK1OPRL1CCR2SLC2A1
SCHEMBL7699076 0.81 CCR2 (0.52) CCR2
SCHEMBL7695961 0.80 HTR1D (0.54) CCR2
SCHEMBL7700411 0.80 CCR2 (0.51) CCR2SLC2A1
SCHEMBL7700299 0.79 CCR2 (0.49) OPRM1OPRK1OPRL1CCR2SLC2A1

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-2002079190-A1 3-SUBSTITUTED INDOLES AS CHEMOKINE ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-10-10 WO disclosed