SCHEMBL6013205

SCHEMBL6013205

CCCN1C(=O)[C@H](CC(C)C)NC(=O)C12CCN(CCCCc1ccccc1)CC2

nearest known ligand 0.98

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.98
CXCR4 P61073 2/20 0.90

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
SCHEMBL6611548 1.00 CCR5 (0.98) CCR5CXCR4
SCHEMBL6615507 0.99 CCR5 (1.00) CCR5CXCR4
SCHEMBL6012781 0.99 CCR5 (1.00) CCR5CXCR4
SCHEMBL6012479 0.99 CCR5 (1.00) CCR5CXCR4
SCHEMBL6611510 0.99 CCR5 (1.00) CCR5CXCR4
SCHEMBL6012415 0.99 CCR5 (1.00) CCR5CXCR4
Hydrochloric Acid SCHEMBL5612032 0.98 CCR5 (1.00) CCR5CXCR4
Hydrochloric Acid SCHEMBL5612187 0.98 CCR5 (1.00) CCR5CXCR4
SCHEMBL6613549 0.97 CCR5 (0.93) CCR5CXCR4
SCHEMBL6012231 0.95 CCR5 (0.98) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119091-B2 Triazaspiro[5.5]undecane derivatives and pharmaceutical compositions comprising thereof, as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-10 US disclosed
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