SCHEMBL6012886

SCHEMBL6012886

O=C1C(COCc2ccccc2)NC(=O)C2(CCN(CCCc3ccccc3)CC2)N1CC(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 0.56
CXCR4 P61073 2/20 0.55

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
SCHEMBL6012554 0.97 CCR5 (0.59) CCR5CXCR4
SCHEMBL6615561 0.96 CCR5 (0.61) CCR5CXCR4
SCHEMBL6012496 0.96 CCR5 (0.61) CCR5CXCR4
SCHEMBL6012861 0.94 CCR5 (0.51) CCR5CXCR4
SCHEMBL6012303 0.90 CCR5 (0.60) CCR5CXCR4
SCHEMBL6616345 0.89 CCR5 (0.60) CCR5
SCHEMBL6013310 0.89 CCR5 (0.59) CCR5CXCR4
SCHEMBL6612633 0.89 CCR5 (0.57) CCR5CXCR4
SCHEMBL6614717 0.88 CCR5 (0.51) CCR5CXCR4
SCHEMBL6610855 0.87 CCR5 (0.70) 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