SCHEMBL7700666

SCHEMBL7700666

CC(C1CCN(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)CC1)N1C2CCC1CC(c1c[nH]c3ccccc13)C2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.46
CCR2 P41597 17/20 0.45
KDM4E B2RXH2 1/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CREBBP Q92793 1/20 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
SCHEMBL7698978 0.92 CCR2 (0.47) SLC2A1CCR2
SCHEMBL7699814 0.89 CCR2 (0.36) SLC2A1CCR2
SCHEMBL7698124 0.84 CCR2 (0.51) SLC2A1CCR2
SCHEMBL7697546 0.82 SLC2A1 (0.60) SLC2A1CCR2KDM4EBRD4ALDH1A1
SCHEMBL5352889 0.80 CCR2 (0.55) SLC2A1CCR2
SCHEMBL7702544 0.78 CCR2 (0.62) SLC2A1CCR2
SCHEMBL5358213 0.76 CCR2 (0.53) SLC2A1CCR2
SCHEMBL7700232 0.75 SLC2A1 (0.69) SLC2A1CCR2
SCHEMBL5352711 0.73 CCR2 (0.53) SLC2A1CCR2
SCHEMBL7702546 0.70 SLC2A1 (0.52) SLC2A1CCR2

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