SCHEMBL5380360

SCHEMBL5380360

CCOC(=O)Cc1cn(Cc2ccccc2)nc1OCC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.48
P2RX7 Q99572 1/20 0.45
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CREBBP Q92793 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
DGAT1 O75907 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40
TBXAS1 P24557 1/20 0.39

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
SCHEMBL5380319 0.93 ALDH1A1 (0.47) ALDH1A1LMNAP2RX7CACNA1GCACNA1H
SCHEMBL5373814 0.88 CYP4F2 (0.50) ALDH1A1LMNACACNA1GCACNA1HCACNA1I
SCHEMBL5397452 0.85 ALDH1A1 (0.51) ALDH1A1LMNAP2RX7CACNA1GCACNA1H
SCHEMBL5374629 0.81 PPARG (0.46) ALDH1A1LMNACACNA1GCACNA1HCACNA1I
SCHEMBL3262512 0.80 ALDH1A1 (0.56) ALDH1A1LMNAP2RX7TSHRMAPK1
SCHEMBL5382729 0.80 FFAR1 (0.54)
SCHEMBL5381156 0.79 CYP4F2 (0.44) ALDH1A1LMNAKMT2AL3MBTL1
SCHEMBL6035017 0.78 POLB (0.44) ALDH1A1LMNACACNA1GCACNA1HCACNA1I
SCHEMBL5387742 0.77 L3MBTL1 (0.46) ALDH1A1LMNACACNA1GCACNA1HCACNA1I
SCHEMBL5120593 0.77 PTGDR2 (0.46)

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