SCHEMBL14465685

SCHEMBL14465685

Bc1ccc(N2CCN([S+]([O-])C[C@@]34CC[C@@H](CC3=O)C4(C)C)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 17/20 0.52
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL14465748 0.80 CXCR3 (0.79) CXCR3L3MBTL1MEN1KMT2A
SCHEMBL5316605 0.80 CXCR3 (0.52) CXCR3L3MBTL1MEN1KMT2A
SCHEMBL14466790 0.73 CXCR3 (0.57) CXCR3
SCHEMBL14465880 0.70 CXCR3 (0.53) CXCR3
SCHEMBL14465749 0.69 CXCR3 (0.49) CXCR3
SCHEMBL14466789 0.68 CXCR3 (0.65) CXCR3
SCHEMBL23921194 0.67 CXCR3 (1.00) CXCR3
SCHEMBL14465675 0.67 CXCR3 (1.00) CXCR3
SCHEMBL14465853 0.67 CXCR3 (1.00) CXCR3
SCHEMBL14465763 0.66 CXCR3 (0.68) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007076318-A2 CAMPHOR-DERIVED CXCR3 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed