SCHEMBL14512062

SCHEMBL14512062

CC[C@@H](Nc1c(Nc2cc(C=N)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 20/20 0.78
▸ CXCR1 P25024 17/20 0.78

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
SCHEMBL12262876 0.88 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL12262880 0.87 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL12262879 0.87 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL14450196 0.85 CXCR2 (0.79) CXCR2CXCR1
SCHEMBL12262551 0.85 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL12260491 0.85 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL12260486 0.85 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL12086664 0.84 CXCR2 (1.00) CXCR2CXCR1
SCHEMBL12262887 0.79 CXCR2 (0.73) CXCR2CXCR1
SCHEMBL12260608 0.78 CXCR2 (0.86) 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-1381590-B1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2007-06-20 — — EP disclosed
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