SCHEMBL5072244

SCHEMBL5072244

CCCCC(c1cnc(-c2ccccc2)n1CCCC)N(Cc1ccc(OC)c(CO)c1)CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 20/20 0.40

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
SCHEMBL5134978 0.90 CXCR3 (0.36) CXCR3
SCHEMBL5137622 0.89 CXCR3 (0.44) CXCR3
SCHEMBL5074803 0.89 MEN1 (0.36) CXCR3
SCHEMBL5135388 0.88 CXCR3 (0.38) CXCR3
SCHEMBL5136865 0.88 TSHR (0.35) CXCR3
SCHEMBL5136555 0.87 CXCR3 (0.33) CXCR3
SCHEMBL1912805 0.86 PTGES (0.37) CXCR3
SCHEMBL648843 0.86 PTGES (0.37) CXCR3
SCHEMBL648844 0.86 PTGES (0.37) CXCR3
SCHEMBL5137842 0.86 MEN1 (0.40) 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-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 EP disclosed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 EP disclosed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 WO disclosed