SCHEMBL6615039

SCHEMBL6615039

CCCN1C(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)C12CCN(C(=O)c1cccnc1Sc1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.46
CXCR3 P49682 1/20 0.42

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
SCHEMBL6612999 0.88 CCR5 (0.50) CCR5CXCR3
SCHEMBL6611230 0.88 CCR5 (0.51) CCR5
SCHEMBL6612920 0.87 CCR5 (0.51) CCR5CXCR3
SCHEMBL6611558 0.87 CCR5 (0.51) CCR5CXCR3
SCHEMBL6611898 0.85 CCR5 (0.50) CCR5CXCR3
SCHEMBL6610874 0.85 CCR5 (0.51) CCR5CXCR3
SCHEMBL6614122 0.85 CCR5 (0.54) CCR5CXCR3
SCHEMBL6612004 0.84 CCR5 (0.50) CCR5CXCR3
SCHEMBL6610655 0.84 CCR5 (0.49) CCR5CXCR3
SCHEMBL6613294 0.84 CCR5 (0.50) CCR5CXCR3

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-1236726-B1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-12-01 EP disclosed