SCHEMBL6012307

SCHEMBL6012307

CCCN1C(=O)C(CC(=O)OCc2ccccc2)NC(=O)C12CCN(CCCCCCc1ccccc1)CC2

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.70
CXCR4 P61073 2/20 0.64
CXCR3 P49682 1/20 0.53

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
SCHEMBL6611807 1.00 CCR5 (0.70) CCR5CXCR4CXCR3
SCHEMBL6613686 1.00 CCR5 (0.70) CCR5CXCR4CXCR3
SCHEMBL6012595 1.00 CCR5 (0.70) CCR5CXCR4CXCR3
SCHEMBL6012906 0.99 CCR5 (0.71) CCR5CXCR4CXCR3
SCHEMBL6012884 0.97 CCR5 (0.72) CCR5CXCR4CXCR3
SCHEMBL6013020 0.94 CCR5 (0.64) CCR5CXCR4CXCR3
SCHEMBL6012573 0.94 CCR5 (0.64) CCR5CXCR4CXCR3
SCHEMBL6012254 0.93 CCR5 (0.71) CCR5CXCR4CXCR3
SCHEMBL6012295 0.93 CCR5 (0.64) CCR5CXCR4CXCR3
SCHEMBL6614186 0.92 CCR5 (0.65) 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