SCHEMBL6013018

SCHEMBL6013018

CCCN1C(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)C12CCN(S(=O)(=O)c1ccccc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.51
CXCR3 P49682 1/20 0.46

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
SCHEMBL6614859 0.96 CCR5 (0.48) CCR5CXCR3
SCHEMBL6613108 0.96 CCR5 (0.48) CCR5CXCR3
SCHEMBL6611179 0.95 CXCR3 (0.53) CCR5CXCR3
SCHEMBL6615700 0.94 CCR5 (0.51) CCR5CXCR3
SCHEMBL6611530 0.94 CCR5 (0.47) CCR5CXCR3
SCHEMBL6611210 0.93 CCR5 (0.46) CCR5CXCR3
SCHEMBL6012485 0.92 CCR5 (0.52) CCR5CXCR3
SCHEMBL6612256 0.92 CCR5 (0.47) CCR5CXCR3
SCHEMBL6611855 0.92 CCR5 (0.48) CCR5CXCR3
SCHEMBL6612224 0.92 CCR5 (0.48) CCR5CXCR3

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
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 claimed
US-7285552-B2 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2007-10-23 US disclosed