SCHEMBL7701609

SCHEMBL7701609

CCC(C1CCN(C(=O)C=Cc2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccc(O)cc23)CC1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.75
HTR1A P08908 1/20 0.57
DRD2 P14416 1/20 0.57
HTR1B P28222 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HTR1E P28566 1/20 0.57
HTR1F P30939 1/20 0.57
HTR7 P34969 1/20 0.57
DRD3 P35462 1/20 0.57
HTR2B P41595 1/20 0.57
HTR6 P50406 1/20 0.57
CCR5 P51681 1/20 0.57
SLC2A1 P11166 1/20 0.56

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
SCHEMBL7700234 0.91 CCR2 (0.88) CCR2SLC2A1
SCHEMBL7694623 0.91 CCR2 (0.68) CCR2HTR1ADRD2HTR1BHTR2A
SCHEMBL5947257 0.85 CCR2 (1.00) CCR2
SCHEMBL5947255 0.85 CCR2 (1.00) CCR2
SCHEMBL5947021 0.84 CCR2 (1.00) CCR2SLC2A1
SCHEMBL5947023 0.84 CCR2 (1.00) CCR2SLC2A1
SCHEMBL7700047 0.84 CCR2 (0.67) CCR2SLC2A1
SCHEMBL7703004 0.84 CCR2 (0.76) CCR2HTR1ADRD2HTR1BHTR2A
SCHEMBL5947076 0.83 CCR2 (1.00) CCR2
SCHEMBL5947081 0.83 CCR2 (1.00) CCR2

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