SCHEMBL6012666

SCHEMBL6012666

CC(C)(C)OC(=O)CCN1C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C12CCN(Cc1ccccc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
CXCR3 P49682 1/20 0.52
CCR5 P51681 15/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.45

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
SCHEMBL6611988 0.93 POLB (0.53) POLBCXCR3CCR5KMT2A
SCHEMBL6012293 0.92 POLB (0.51) POLBCXCR3CCR5KMT2A
SCHEMBL6012214 0.92 POLB (0.51) POLBCXCR3CCR5KMT2A
SCHEMBL6012653 0.91 CCR5 (0.52) POLBCXCR3CCR5KMT2A
SCHEMBL6012247 0.91 CCR5 (0.52) POLBCXCR3CCR5KMT2A
SCHEMBL6012245 0.91 POLB (0.58) POLBKMT2AMEN1
SCHEMBL6615583 0.89 POLB (0.55) POLBKMT2AMEN1
SCHEMBL6611478 0.88 CXCR3 (0.66) CXCR3CCR5
SCHEMBL6618147 0.86 CXCR3 (0.70) CXCR3CCR5KMT2A
SCHEMBL6613676 0.85 CXCR3 (0.58) CXCR3CCR5KMT2AMEN1

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