SCHEMBL6612928

SCHEMBL6612928

Cc1n[nH]c(C)c1C(c1ccccc1)N1CCC2(CC1)C(=O)NC(CC(C)C)C(=O)N2Cc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.55
CXCR4 P61073 2/20 0.43

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
SCHEMBL6012401 0.93 CCR5 (0.63) CCR5CXCR4
SCHEMBL6615042 0.92 CCR5 (0.57) CCR5
SCHEMBL6613630 0.89 CCR5 (0.58) CCR5
SCHEMBL6013017 0.89 CCR5 (0.56) CCR5CXCR4
SCHEMBL6610390 0.87 CCR5 (0.58) CCR5
SCHEMBL6614720 0.87 CCR5 (0.54) CCR5
SCHEMBL6617253 0.87 CCR5 (0.51) CCR5CXCR4
SCHEMBL6613313 0.87 CCR5 (0.50) CCR5CXCR4
SCHEMBL6012827 0.86 CCR5 (0.51) CCR5CXCR4
SCHEMBL6012872 0.85 CCR5 (0.55) 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 2 patents. 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
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