SCHEMBL6609588

SCHEMBL6609588

CC(C)CC1NC(=O)C2(CCN(CCCCc3ccccc3)CC2)N(CCC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.72
CXCR4 P61073 2/20 0.71

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
SCHEMBL6613449 0.99 CCR5 (0.73) CCR5CXCR4
SCHEMBL6611187 0.99 CCR5 (0.73) CCR5CXCR4
SCHEMBL6615660 0.98 CCR5 (0.68) CCR5CXCR4
SCHEMBL6613231 0.94 CCR5 (0.63) CCR5CXCR4
SCHEMBL6610964 0.93 CCR5 (0.71) CCR5CXCR4
SCHEMBL6613376 0.92 CCR5 (0.72) CCR5CXCR4
SCHEMBL6614715 0.92 CCR5 (0.72) CCR5CXCR4
SCHEMBL6613644 0.91 CCR5 (0.58) CCR5CXCR4
SCHEMBL6613835 0.90 CCR5 (0.60) CCR5CXCR4
SCHEMBL6613448 0.90 CCR5 (0.60) CCR5CXCR4

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