SCHEMBL6613294

SCHEMBL6613294

CCCN1C(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)C12CCN(C(=O)c1ccno1)CC2

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.50
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
SCHEMBL6614466 0.90 CCR5 (0.51) CCR5CXCR3
SCHEMBL6610874 0.90 CCR5 (0.51) CCR5CXCR3
SCHEMBL6614122 0.90 CCR5 (0.54) CCR5CXCR3
SCHEMBL6612999 0.89 CCR5 (0.50) CCR5CXCR3
SCHEMBL6012265 0.88 CCR5 (0.55) CCR5CXCR3
SCHEMBL6612835 0.88 CCR5 (0.63) CCR5CXCR3
SCHEMBL6614456 0.88 CCR5 (0.54) CCR5CXCR3
SCHEMBL6610580 0.88 CCR5 (0.54) CCR5CXCR3
SCHEMBL6012308 0.88 CCR5 (0.60) CCR5CXCR3
SCHEMBL6012436 0.88 CCR5 (0.54) 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