SCHEMBL5699577

SCHEMBL5699577

CCCCCCCCCCOC(=O)NC1CC[C@@H](C2C(=O)NCCC[C@@H]2NC(=O)C(C)(C)CCCCCCCCCC)NC(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.49
CCR1 P32246 1/20 0.49
CCR5 P51681 1/20 0.49
CXCR4 P61073 1/20 0.49
NAAA Q02083 10/20 0.40
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ASAH1 Q13510 1/20 0.33

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
SCHEMBL6135727 0.82 NAAA (0.40) CCR2CCR1CCR5CXCR4NAAA
SCHEMBL5699633 0.78 CCR2 (0.40) CCR2CCR1CCR5CXCR4
SCHEMBL10476331 0.78 CCR2 (0.44) CCR2CCR1CCR5CXCR4
SCHEMBL5699632 0.78 CCR2 (0.52) CCR2CCR1CCR5CXCR4NAAA
SCHEMBL1114657 0.78 CCR2 (0.52) CCR2CCR1CCR5CXCR4NAAA
SCHEMBL5699622 0.78 CCR2 (0.52) CCR2CCR1CCR5CXCR4NAAA
SCHEMBL1114788 0.78 CCR2 (0.52) CCR2CCR1CCR5CXCR4NAAA
SCHEMBL1114780 0.75 NAAA (0.55) CCR2NAAAGAAMAPK1HTT
SCHEMBL718704 0.74 CCR2 (0.63) CCR2CCR1CCR5CXCR4
SCHEMBL1114798 0.74 CCR2 (0.63) CCR2CCR1CCR5CXCR4

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-1691814-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2006-08-23 EP claimed