SCHEMBL5397402

SCHEMBL5397402

CCOC(=O)CCc1cn(Cc2ccc(OC3CCN(c4ccccn4)CC3)cc2)nc1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
ALDH1A1 P00352 3/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
P2RX3 P56373 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
AVPR1A P37288 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5376906 0.92 FFAR1 (0.45) FFAR1ALDH1A1HPGDNPSR1HSD17B10
SCHEMBL5385710 0.79 DGAT1 (0.36) FFAR1ALDH1A1HPGDLMNAPOLB
SCHEMBL7543721 0.79 DGAT1 (0.36) LMNAPOLB
SCHEMBL5373814 0.78 CYP4F2 (0.50) ALDH1A1NPSR1LMNAMEN1KMT2A
SCHEMBL7543726 0.78 CYP4F2 (0.34) FFAR1ALDH1A1ATML3MBTL1P2RX3
SCHEMBL5374629 0.77 PPARG (0.46) FFAR1ALDH1A1L3MBTL1LMNAFFAR4
SCHEMBL5381156 0.76 CYP4F2 (0.44) ALDH1A1HPGDHSD17B10L3MBTL1P2RX3
SCHEMBL5377326 0.75 KMT2A (0.44) FFAR1ALDH1A1HSD17B10L3MBTL1LMNA
SCHEMBL5387742 0.74 L3MBTL1 (0.46) FFAR1ALDH1A1L3MBTL1LMNAFFAR4
SCHEMBL5378860 0.73 MMP13 (0.42) ALDH1A1L3MBTL1LMNAPOLBTSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed