SCHEMBL6614714

SCHEMBL6614714

O=C1C(COCc2ccccc2)NC(=O)C2(CCN(Cc3ccccc3)CC2)N1Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.70
CXCR3 P49682 1/20 0.58

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
SCHEMBL6613787 0.92 CCR5 (0.59) CCR5CXCR3
SCHEMBL6611351 0.92 CXCR3 (0.60) CCR5CXCR3
SCHEMBL6615179 0.91 CCR5 (0.61) CCR5CXCR3
SCHEMBL6615059 0.91 CXCR3 (0.72) CCR5CXCR3
SCHEMBL6612633 0.90 CCR5 (0.57) CCR5CXCR3
SCHEMBL6616345 0.90 CCR5 (0.60) CCR5CXCR3
SCHEMBL6612757 0.89 CCR5 (0.56) CCR5CXCR3
SCHEMBL6610818 0.89 CCR5 (0.61) CCR5CXCR3
SCHEMBL6616636 0.88 CCR5 (0.62) CCR5CXCR3
SCHEMBL6611038 0.88 CCR5 (0.62) 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
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