SCHEMBL7698124

SCHEMBL7698124

O=C(/C=C/N1CCC(CN2C3CCC2CC(c2c[nH]c4ccccc24)C3)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR1B P28222 1/20 0.51
DRD3 P35462 1/20 0.51
HTR2B P41595 1/20 0.51
HTR6 P50406 1/20 0.51
SLC2A1 P11166 2/20 0.47

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
SCHEMBL7702544 0.87 CCR2 (0.62) CCR2SLC2A1
SCHEMBL7700666 0.84 SLC2A1 (0.46) CCR2SLC2A1
SCHEMBL7697546 0.84 SLC2A1 (0.60) CCR2SLC2A1
SCHEMBL7700232 0.81 SLC2A1 (0.69) CCR2SLC2A1
SCHEMBL5358213 0.80 CCR2 (0.53) CCR2SLC2A1
SCHEMBL7703003 0.79 CCR2 (0.62) CCR2HTR1ADRD2HTR1BDRD3
SCHEMBL7695531 0.78 CCR2 (0.52) CCR2HTR1ADRD2HTR1BDRD3
SCHEMBL7702941 0.78 CCR2 (0.51) CCR2SLC2A1
SCHEMBL5352889 0.78 CCR2 (0.55) CCR2SLC2A1
SCHEMBL7698863 0.77 CCR2 (0.83) CCR2HTR1ADRD2HTR1BDRD3

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