SCHEMBL10476331

SCHEMBL10476331

CCCCCCCCCCS(=O)(=O)N[C@H]1CCC(C2C(=O)NCCC[C@@H]2NC(=O)C(C)(C)CCC(C)C)NC(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.44
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CXCR4 P61073 1/20 0.42
LYPLA1 O75608 1/20 0.30
NOD1 Q9Y239 1/20 0.30

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
SCHEMBL1114805 0.83 CCR2 (0.33) CCR2CCR1CCR5CXCR4LYPLA1
SCHEMBL5699574 0.83 CCR2 (0.33) CCR2CCR1CCR5CXCR4LYPLA1
SCHEMBL1114567 0.83 CCR2 (0.33) CCR2CCR1CCR5CXCR4LYPLA1
SCHEMBL5699571 0.83 CCR2 (0.33) CCR2CCR1CCR5CXCR4LYPLA1
SCHEMBL1114885 0.80 CCR2 (0.37) CCR2CCR1CCR5CXCR4NOD1
SCHEMBL5699577 0.78 CCR2 (0.49) CCR2CCR1CCR5CXCR4
SCHEMBL5699633 0.77 CCR2 (0.40) CCR2CCR1CCR5CXCR4NOD1
SCHEMBL1114657 0.73 CCR2 (0.52) CCR2CCR1CCR5CXCR4NOD1
SCHEMBL1114788 0.73 CCR2 (0.52) CCR2CCR1CCR5CXCR4NOD1
SCHEMBL5699632 0.73 CCR2 (0.52) CCR2CCR1CCR5CXCR4NOD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691814-B9 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2013-02-20 EP claimed
EP-1691814-B1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2012-07-25 EP claimed