SCHEMBL6012245

SCHEMBL6012245

CN1CCC2(CC1)C(=O)NC(Cc1c[nH]c3ccccc13)C(=O)N2CCC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
IDO1 P14902 2/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
THRB P10828 1/20 0.45
RIPK1 Q13546 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 3/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41

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
SCHEMBL6615583 0.92 POLB (0.55) POLBMAPTSMN1; SMN2IDO1TP53
SCHEMBL6012666 0.91 POLB (0.53) POLBKMT2AMEN1
SCHEMBL6611988 0.90 POLB (0.53) POLBKMT2AHDAC3HDAC4HDAC1
SCHEMBL6012293 0.89 POLB (0.51) POLBKMT2AHDAC3HDAC4HDAC1
SCHEMBL6012214 0.89 POLB (0.51) POLBKMT2AHDAC3HDAC4HDAC1
SCHEMBL6012653 0.88 CCR5 (0.52) POLBKMT2AHDAC3HDAC4HDAC1
SCHEMBL6012247 0.88 CCR5 (0.52) POLBKMT2AHDAC3HDAC4HDAC1
SCHEMBL6612641 0.84 CXCR3 (0.54)
SCHEMBL6613217 0.84 MAPT (0.53) POLBMAPTSMN1; SMN2IDO1TP53
SCHEMBL6610823 0.84 CXCR3 (0.53) POLBMAPTSMN1; SMN2IDO1TP53

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