SCHEMBL6616737

SCHEMBL6616737

COc1ccc(CN2CCC3(CC2)C(=O)NC(Cc2ccccc2)C(=O)N3Cc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.69
CCR5 P51681 19/20 0.69

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
SCHEMBL2085845 0.93 CXCR3 (0.81) CXCR3CCR5
SCHEMBL6012909 0.92 CXCR3 (0.69) CXCR3CCR5
SCHEMBL6612106 0.91 CCR5 (0.79) CXCR3CCR5
SCHEMBL6616234 0.91 CXCR3 (0.74) CXCR3CCR5
SCHEMBL2086688 0.91 CXCR3 (0.68) CXCR3CCR5
SCHEMBL6612540 0.91 CCR5 (0.76) CXCR3CCR5
SCHEMBL2085481 0.90 CXCR3 (0.60) CXCR3CCR5
SCHEMBL6612792 0.89 CCR5 (0.86) CCR5
SCHEMBL6614578 0.89 CCR5 (0.86) CCR5
SCHEMBL6615778 0.89 CXCR3 (0.66) CXCR3CCR5

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