SCHEMBL7702941

SCHEMBL7702941

Nc1ccc2c(C3CCN(CC4CCN(/C=C/C(=O)c5ccc(Cl)c(Cl)c5)CC4)CC3)c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.51
SLC2A1 P11166 2/20 0.45
HRH1 P35367 2/20 0.39
CCR3 P51677 2/20 0.39
KCNH2 Q12809 2/20 0.39
OPRM1 P35372 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39

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
SCHEMBL7695531 0.94 CCR2 (0.52) CCR2SLC2A1OPRM1OPRK1OPRL1
SCHEMBL7702544 0.90 CCR2 (0.62) CCR2SLC2A1
SCHEMBL7700299 0.88 CCR2 (0.49) CCR2SLC2A1KCNH2OPRM1OPRK1
SCHEMBL7703003 0.86 CCR2 (0.62) CCR2SLC2A1OPRM1OPRK1OPRL1
SCHEMBL7701596 0.84 CCR2 (0.51) CCR2
SCHEMBL7700045 0.84 CCR2 (0.56) CCR2SLC2A1
SCHEMBL7699076 0.83 CCR2 (0.52) CCR2
SCHEMBL7695961 0.83 HTR1D (0.54) CCR2
SCHEMBL7696192 0.82 CCR2 (0.58) CCR2SLC2A1
SCHEMBL7700411 0.81 CCR2 (0.51) CCR2SLC2A1

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