SCHEMBL6012535

SCHEMBL6012535

O=C1C(Cc2ccccc2)NC(=O)C2(CCN(CCCc3ccccc3)CC2)N1CCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 17/20 0.64
CXCR4 P61073 2/20 0.63
CXCR3 P49682 1/20 0.63

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
SCHEMBL6012259 0.97 CCR5 (0.68) CCR5CXCR4CXCR3
SCHEMBL6012576 0.96 CCR5 (0.70) CCR5CXCR4CXCR3
SCHEMBL6012346 0.96 CCR5 (0.70) CCR5CXCR4CXCR3
SCHEMBL6012895 0.94 CXCR3 (0.66) CCR5CXCR4CXCR3
SCHEMBL6612455 0.93 CCR5 (0.75) CCR5CXCR4CXCR3
SCHEMBL6613093 0.93 CXCR3 (0.64) CCR5CXCR4CXCR3
SCHEMBL6612243 0.90 CXCR3 (0.76) CCR5CXCR4CXCR3
SCHEMBL6615594 0.90 CCR5 (0.79) CCR5CXCR4CXCR3
SCHEMBL6615804 0.89 CCR5 (0.65) CCR5CXCR4CXCR3
SCHEMBL6616558 0.89 CCR5 (0.81) CCR5CXCR4CXCR3

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