SCHEMBL14465729

SCHEMBL14465729

CC(=O)NC1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)C2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 17/20 1.00
OXTR P30559 1/20 0.48

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
SCHEMBL14465697 0.91 CXCR3 (1.00) CXCR3OXTR
SCHEMBL14466704 0.89 CXCR3 (1.00) CXCR3
SCHEMBL14466786 0.89 CXCR3 (1.00) CXCR3
SCHEMBL5376286 0.85 CXCR3 (1.00) CXCR3
SCHEMBL14465759 0.80 CXCR3 (1.00) CXCR3
SCHEMBL14465727 0.79 CXCR3 (0.88) CXCR3
SCHEMBL14465677 0.76 CXCR3 (1.00) CXCR3
SCHEMBL23921194 0.75 CXCR3 (1.00) CXCR3
SCHEMBL14465675 0.75 CXCR3 (1.00) CXCR3
SCHEMBL14465853 0.75 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 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