SCHEMBL7701607

SCHEMBL7701607

O=C(/C=C/N1CCC(CCCN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.58
CCR2 P41597 11/20 0.57
HTR1B P28222 4/20 0.57
DRD2 P14416 2/20 0.57
HTR1A P08908 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
MAPT P10636 1/20 0.48
BLM P54132 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTR1D P28221 5/20 0.46
CHRM2 P08172 1/20 0.46

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
SCHEMBL7694620 0.96 CCR2 (0.56) SLC2A1CCR2HTR1BDRD2HTR1A
SCHEMBL7700232 0.91 SLC2A1 (0.69) SLC2A1CCR2
SCHEMBL7703003 0.91 CCR2 (0.62) SLC2A1CCR2HTR1BDRD2HTR1A
SCHEMBL7700045 0.90 CCR2 (0.56) SLC2A1CCR2HTR1BDRD2HTR1A
SCHEMBL7702546 0.88 SLC2A1 (0.52) SLC2A1CCR2HTR1BDRD2HTR1A
SCHEMBL7699820 0.85 CCR2 (0.58) SLC2A1CCR2DRD2HTR1AHTR2A
SCHEMBL7702720 0.84 CCR2 (0.61) SLC2A1CCR2HTR1BDRD2HTR1A
SCHEMBL7705374 0.83 SLC2A1 (0.46) SLC2A1CCR2HTR1BDRD2HTR1A
SCHEMBL7695531 0.82 CCR2 (0.52) SLC2A1CCR2HTR1BDRD2HTR1A
SCHEMBL7701921 0.82 CCR2 (0.56) SLC2A1CCR2HTR1BDRD2HTR1A

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