SCHEMBL6611259

SCHEMBL6611259

O=C1CNC(=O)C2(CCCN(CCCCCc3ccccc3)CC2)N1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
CCR5 P51681 10/20 0.49
CXCR4 P61073 2/20 0.49
CCR3 P51677 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
SCHEMBL7483160 0.96 CCR5 (0.52) SIGMAR1CCR5CXCR4CCR3
SCHEMBL6615585 0.96 CCR5 (0.52) SIGMAR1CCR5CXCR4CCR3
SCHEMBL6610245 0.95 CCR3 (0.51) SIGMAR1CCR5CXCR4CCR3
SCHEMBL6613893 0.92 OPRM1 (0.48) SIGMAR1CCR5CXCR4CCR3
SCHEMBL6608842 0.88 CCR5 (0.53) SIGMAR1CCR5CXCR4
SCHEMBL6612763 0.87 CCR5 (0.52) SIGMAR1CCR5CXCR4CCR3
SCHEMBL6612028 0.87 LMNA (0.51) SIGMAR1CCR5
SCHEMBL6613900 0.85 CCR5 (0.63) SIGMAR1CCR5CXCR4
SCHEMBL6611815 0.85 CCR5 (0.63) SIGMAR1CCR5CXCR4
SCHEMBL6611611 0.84 CCR5 (0.52) SIGMAR1CCR5CXCR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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