SCHEMBL14100384

SCHEMBL14100384

CCC(Nc1nsnc1Nc1cccc(C(=O)N2CCCC2)c1O)c1cc(C)co1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 19/20 0.73
▸ CXCR1 P25024 15/20 0.73

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
SCHEMBL13208673 1.00 CXCR2 (0.73) CXCR2CXCR1
SCHEMBL13208729 0.99 CXCR2 (0.72) CXCR2CXCR1
SCHEMBL13208749 0.91 CXCR2 (0.65) CXCR2CXCR1
SCHEMBL13208371 0.91 CXCR2 (0.67) CXCR2CXCR1
SCHEMBL14101037 0.90 CXCR2 (0.59) CXCR2CXCR1
SCHEMBL13208671 0.90 CXCR2 (0.59) CXCR2CXCR1
SCHEMBL13208731 0.90 CXCR2 (0.59) CXCR2CXCR1
SCHEMBL14100392 0.89 CXCR2 (0.67) CXCR2CXCR1
SCHEMBL13208688 0.89 CXCR2 (0.67) CXCR2CXCR1
SCHEMBL13208358 0.89 CXCR2 (0.65) CXCR2CXCR1

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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