SCHEMBL7144891

SCHEMBL7144891

CC(NCCN(C)C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 16/20 0.62
PDE10A Q9Y233 1/20 0.50

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
SCHEMBL9067778 0.88 CXCR3 (0.59) CXCR3PDE10A
SCHEMBL7639262 0.86 PIK3CD (0.47) CXCR3
SCHEMBL5156390 0.84 CXCR3 (0.46) CXCR3
SCHEMBL7141275 0.83 HRH3 (0.58) CXCR3
SCHEMBL450061 0.82 CXCR3 (0.54) CXCR3PDE10A
SCHEMBL7699242 0.78 CXCR3 (0.48) CXCR3PDE10A
SCHEMBL14317533 0.77 CXCR3 (0.56) CXCR3PDE10A
SCHEMBL1484065 0.77 CXCR3 (0.56) CXCR3PDE10A
SCHEMBL12463889 0.77 PTGS2 (0.47) CXCR3
SCHEMBL14621133 0.77 CXCR3 (1.00) CXCR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1743891-A1 Heterocyclic compounds and methods for modulating CXCR3 function ChemoCentryx Inc (US) 2007-01-17 EP disclosed
EP-1343505-A1 CXCR3 ANTAGONISTS Tularik Inc. (US) 2003-09-17 EP disclosed
WO-2002083143-A1 CXCR3 ANTAGONISTS TULARIK INC. (US) 2002-10-24 WO disclosed