SCHEMBL7703004

SCHEMBL7703004

O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.76
SLC2A1 P11166 1/20 0.68
HTR1A P08908 2/20 0.65
DRD2 P14416 2/20 0.65
HTR1B P28222 2/20 0.65
DRD3 P35462 2/20 0.65
HTR2B P41595 2/20 0.65
HTR6 P50406 2/20 0.65
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65
HTR1E P28566 1/20 0.65
HTR1F P30939 1/20 0.65
HTR7 P34969 1/20 0.65
CCR5 P51681 1/20 0.65

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
SCHEMBL7702549 0.90 SLC2A1 (0.82) CCR2SLC2A1
SCHEMBL7701561 0.87 CCR2 (0.61) CCR2SLC2A1HTR1ADRD2HTR1B
SCHEMBL7701609 0.84 CCR2 (0.75) CCR2SLC2A1HTR1ADRD2HTR1B
SCHEMBL7700302 0.84 SLC2A1 (0.66) CCR2SLC2A1
SCHEMBL7694623 0.84 CCR2 (0.68) CCR2SLC2A1HTR1ADRD2HTR1B
SCHEMBL7703003 0.80 CCR2 (0.62) CCR2SLC2A1HTR1ADRD2HTR1B
SCHEMBL29416788 0.78 CCR2 (1.00) CCR2HTR1ADRD2HTR1BDRD3
SCHEMBL18840986 0.78 CCR2 (1.00) CCR2SLC2A1
SCHEMBL7697550 0.78 CCR2 (0.75) CCR2SLC2A1
SCHEMBL5352891 0.77 CCR2 (0.75) 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