SCHEMBL14511371

SCHEMBL14511371

C=C1C(=O)C(N[C@@H](c2ccccc2)C2CC2)=C1Nc1cccc(C(=O)N(C)C)c1O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 19/20 0.64
▸ CXCR1 P25024 12/20 0.64
▸ CCR7 P32248 1/20 0.51
▸ CCR6 P51684 1/20 0.49

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
SCHEMBL12086708 0.82 CXCR2 (0.79) CXCR2CXCR1CCR7CCR6
SCHEMBL14511352 0.81 CXCR2 (0.52) CXCR2CXCR1CCR6
SCHEMBL14511107 0.80 CXCR2 (0.56) CXCR2CXCR1CCR7CCR6
SCHEMBL12087092 0.78 CXCR2 (0.74) CXCR2CXCR1CCR7CCR6
SCHEMBL13208150 0.78 CXCR2 (1.00) CXCR2CXCR1CCR7
SCHEMBL13207028 0.77 CXCR2 (0.75) CXCR2CXCR1CCR7CCR6
SCHEMBL13406984 0.77 CXCR2 (0.67) CXCR2CXCR1CCR7CCR6
SCHEMBL14450755 0.77 CXCR2 (0.54) CXCR2CXCR1CCR7CCR6
SCHEMBL14511220 0.76 CXCR2 (0.72) CXCR2CXCR1
SCHEMBL13479554 0.75 CXCR2 (0.69) CXCR2CXCR1CCR7CCR6

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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