SCHEMBL6012895

SCHEMBL6012895

O=C1C(Cc2ccccc2)NC(=O)C2(CCN(CCc3ccccc3)CC2)N1CCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.66
CCR5 P51681 18/20 0.59
CXCR4 P61073 2/20 0.58

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
SCHEMBL6012535 0.94 CCR5 (0.64) CXCR3CCR5CXCR4
SCHEMBL6613544 0.93 CXCR3 (0.76) CXCR3CCR5CXCR4
SCHEMBL6012259 0.93 CCR5 (0.68) CXCR3CCR5CXCR4
SCHEMBL6612243 0.93 CXCR3 (0.76) CXCR3CCR5CXCR4
SCHEMBL6617547 0.93 CXCR3 (0.67) CXCR3CCR5CXCR4
SCHEMBL6012576 0.92 CCR5 (0.70) CXCR3CCR5CXCR4
SCHEMBL6012346 0.92 CCR5 (0.70) CXCR3CCR5CXCR4
SCHEMBL6615106 0.91 CXCR3 (0.63) CXCR3CCR5CXCR4
SCHEMBL6614956 0.89 CXCR3 (0.57) CXCR3CCR5CXCR4
SCHEMBL2087598 0.89 CXCR3 (0.85) CXCR3CCR5CXCR4

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