SCHEMBL6614567

SCHEMBL6614567

CC(C)C[C@@H]1NC(=O)C2(CCN(CCCCCCc3ccccc3)CC2)N(CCc2ccncc2)C1=O

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.81
CXCR4 P61073 2/20 0.79

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
SCHEMBL6613302 1.00 CCR5 (0.81) CCR5CXCR4
SCHEMBL6615191 0.99 CCR5 (0.79) CCR5CXCR4
SCHEMBL6012531 0.95 CCR5 (0.89) CCR5CXCR4
SCHEMBL6610058 0.95 CCR5 (0.89) CCR5CXCR4
SCHEMBL6614829 0.94 CCR5 (0.77) CCR5CXCR4
SCHEMBL6012316 0.94 CCR5 (0.88) CCR5CXCR4
SCHEMBL6615385 0.93 CCR5 (0.75) CCR5CXCR4
SCHEMBL6616801 0.93 CCR5 (0.77) CCR5CXCR4
SCHEMBL7476549 0.93 CCR5 (0.77) CCR5CXCR4
SCHEMBL6613280 0.92 CCR5 (0.93) 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