SCHEMBL7697546

SCHEMBL7697546

O=C(/C=C/N1CCC(N2CCC(c3c[nH]c4ccccc34)CC2)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.60
CCR2 P41597 15/20 0.54
KDM4E B2RXH2 1/20 0.47
BRD4 O60885 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
CREBBP Q92793 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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 0.88 CCR2 (0.62) SLC2A1CCR2HDAC3HDAC4HDAC1
SCHEMBL5358213 0.85 CCR2 (0.53) SLC2A1CCR2
SCHEMBL5352889 0.85 CCR2 (0.55) SLC2A1CCR2HDAC3HDAC4HDAC1
SCHEMBL7700232 0.85 SLC2A1 (0.69) SLC2A1CCR2
SCHEMBL7698124 0.84 CCR2 (0.51) SLC2A1CCR2
SCHEMBL7700666 0.82 SLC2A1 (0.46) SLC2A1CCR2KDM4EBRD4ALDH1A1
SCHEMBL5352711 0.81 CCR2 (0.53) SLC2A1CCR2HDAC3HDAC4HDAC1
SCHEMBL7697550 0.79 CCR2 (0.75) SLC2A1CCR2
SCHEMBL7703003 0.78 CCR2 (0.62) SLC2A1CCR2
SCHEMBL7694620 0.78 CCR2 (0.56) 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