SCHEMBL17004517

SCHEMBL17004517

Cc1ccc(C(Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C2(C)CN(OC(=O)OC(C)(C)C)C2)o1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CXCR1 P25024 20/20 0.71
▸ CXCR2 P25025 20/20 0.71
▸ CXCR3 P49682 2/20 0.71
▸ CCR6 P51684 2/20 0.71
▸ CXCR6 O00574 1/20 0.62
▸ ACKR3 P25106 1/20 0.62
▸ CXCR4 P61073 1/20 0.62
▸ CCR7 P32248 4/20 0.61

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
SCHEMBL14905813 0.90 CXCR1 (0.73) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14895162 0.84 CXCR1 (0.80) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL12263314 0.84 CXCR1 (0.90) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14894327 0.83 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14905804 0.83 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL14894328 0.83 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL17698424 0.83 CXCR2 (0.74) CXCR1CXCR2CXCR3CCR6CCR7
SCHEMBL14894646 0.81 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL21297009 0.81 CXCR1 (1.00) CXCR1CXCR2CXCR3CCR6CXCR6
SCHEMBL12262704 0.77 CXCR2 (1.00) CXCR1CXCR2CXCR3CCR6CCR7

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-2771334-B1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES GALDERMA RES & DEV (FR) 2015-08-19 — — EP claimed
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