SCHEMBL5699650

SCHEMBL5699650

C=CCCCCCCCCNC(=O)N[C@H]1CCCNC(=O)C1[C@@H]1CCC(NC(=O)NCCCCCCCCCC)CC(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 12/20 0.41
EPHX2 P34913 4/20 0.40
CCR2 P41597 2/20 0.37
PRCP P42785 1/20 0.35

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
SCHEMBL1114839 0.95 EPHX1 (0.38) EPHX1EPHX2CCR2PRCP
SCHEMBL1114631 0.80 CCR2 (0.47) CCR2
SCHEMBL5699632 0.79 CCR2 (0.52) CCR2
SCHEMBL1114788 0.79 CCR2 (0.52) CCR2
SCHEMBL1114657 0.79 CCR2 (0.52) CCR2
SCHEMBL5699622 0.79 CCR2 (0.52) CCR2
SCHEMBL1114684 0.78 EPHX1 (0.44) EPHX1EPHX2
SCHEMBL6135727 0.77 NAAA (0.40) CCR2
SCHEMBL1114793 0.75 EPHX1 (0.64) EPHX1EPHX2PRCP
SCHEMBL5699577 0.71 CCR2 (0.49) CCR2

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 4 patents. 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
WO-2005053702-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2005-06-16 WO claimed
EP-1691814-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2006-08-23 EP disclosed
WO-2005053702-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2005-06-16 WO disclosed