SCHEMBL6616463

SCHEMBL6616463

CC(C)CC1NC(=O)C2(CCN(CCCc3ccccc3)CC2)N(CC2CCCO2)C1=O

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.67
CXCR4 P61073 2/20 0.66

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
SCHEMBL6610693 0.98 CCR5 (0.71) CCR5CXCR4
SCHEMBL6616729 0.97 CCR5 (0.72) CCR5CXCR4
SCHEMBL6611634 0.97 CCR5 (0.72) CCR5CXCR4
SCHEMBL6614942 0.95 CCR5 (0.61) CCR5CXCR4
SCHEMBL6627672 0.90 CCR5 (0.54) CCR5CXCR4
SCHEMBL6613267 0.90 CCR5 (0.73) CCR5
SCHEMBL6613771 0.87 CCR5 (0.57) CCR5CXCR4
SCHEMBL6013042 0.87 CCR5 (0.57) CCR5CXCR4
SCHEMBL6013150 0.87 CCR5 (0.57) CCR5CXCR4
SCHEMBL6616196 0.87 CCR5 (0.51) 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