SCHEMBL14100259

SCHEMBL14100259

CN(C)CCCCc1coc(CNc2n[s+]([O-])nc2Nc2ccc(C(F)(F)F)c(C(=O)N(C)C)c2O)c1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 3/20 0.40
▸ CXCR2 P25025 3/20 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
SCHEMBL13207191 0.85 CXCR1 (0.51) CXCR1CXCR2
SCHEMBL13948002 0.83 CXCR2 (0.44) CXCR1CXCR2
SCHEMBL13947699 0.80 CXCR2 (0.55) CXCR1CXCR2
SCHEMBL13227290 0.77 CXCR1 (0.53) CXCR1CXCR2
SCHEMBL13208197 0.75 CXCR1 (0.65) CXCR1CXCR2
SCHEMBL13947691 0.73 CXCR1 (0.42) CXCR1CXCR2
SCHEMBL13207354 0.72 CXCR2 (0.47) CXCR1CXCR2
SCHEMBL13947684 0.72 CXCR2 (0.40) CXCR1CXCR2
SCHEMBL13207343 0.71 CXCR2 (0.59) CXCR1CXCR2
SCHEMBL13207356 0.71 CXCR2 (0.46) CXCR1CXCR2

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
EP-1694659-B1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2008-08-27 — — EP disclosed
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