SCHEMBL6611196

SCHEMBL6611196

CCCN1C(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)C12CCN(S(=O)(=O)c1ccccc1I)CC2

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.48
CXCR3 P49682 1/20 0.44

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
SCHEMBL6013018 0.91 CCR5 (0.51) CCR5CXCR3
SCHEMBL6616838 0.91 CCR5 (0.48) CCR5CXCR3
SCHEMBL6613285 0.90 CCR5 (0.47) CCR5CXCR3
SCHEMBL6012485 0.90 CCR5 (0.52) CCR5CXCR3
SCHEMBL6612624 0.89 CCR5 (0.49) CCR5CXCR3
SCHEMBL6612737 0.89 CCR5 (0.51) CCR5CXCR3
SCHEMBL6614859 0.89 CCR5 (0.48) CCR5CXCR3
SCHEMBL6613108 0.89 CCR5 (0.48) CCR5CXCR3
SCHEMBL6614932 0.88 CCR5 (0.51) CCR5
SCHEMBL6614885 0.88 CCR5 (0.47) 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 2 patents. 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
EP-1236726-A1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-09-04 EP disclosed