SCHEMBL7985669

SCHEMBL7985669

C[C@@H]1CN(CCN2C(=O)c3ccccc3C2=O)C[C@H](C)N1CCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.58
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CASP3 P42574 1/20 0.51
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
OPRM1 P35372 2/20 0.48
ALDH2 P05091 1/20 0.48
PKM P14618 1/20 0.48
ALDH3A1 P30838 1/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL7985675 1.00 SIGMAR1 (0.58) SIGMAR1TDP1L3MBTL1CASP3ALDH1A1
SCHEMBL7986503 0.81 KDM4E (0.56) TDP1ALDH1A1KDM4E
SCHEMBL7986506 0.81 KDM4E (0.56) TDP1ALDH1A1KDM4E
SCHEMBL7983055 0.79 SIGMAR1 (0.66) SIGMAR1OPRM1
SCHEMBL30371663 0.78 TDP1 (0.86) TDP1L3MBTL1CASP3ALDH1A1KDM4E
SCHEMBL45050 0.78 TDP1 (0.86) TDP1L3MBTL1CASP3ALDH1A1KDM4E
SCHEMBL13442856 0.75 CASP3 (0.81) TDP1L3MBTL1CASP3ALDH1A1ALDH2
SCHEMBL3962101 0.74 KDM4E (0.60) SIGMAR1TDP1ALDH1A1KDM4E
SCHEMBL6733250 0.74 TP53 (0.52) TDP1ALDH1A1KDM4ETSHRMAPK1
SCHEMBL3231915 0.73 SIGMAR1 (1.00) SIGMAR1OPRM1

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-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed