SCHEMBL5376906

SCHEMBL5376906

CCOc1nn(Cc2ccc(OC3CCN(c4ccccn4)CC3)cc2)cc1CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 3/20 0.42
AVPR1A P37288 3/20 0.40
EPHX2 P34913 4/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5397402 0.92 FFAR1 (0.41) FFAR1FFAR4AVPR1AHPGDHSD17B10
SCHEMBL5376441 0.78 FFAR4 (0.42) FFAR1FFAR4L3MBTL1CYP2C9
SCHEMBL5373798 0.77 FFAR1 (0.54) FFAR1FFAR4
SCHEMBL5385639 0.74 FFAR1 (0.47) FFAR1FFAR4HSD17B10L3MBTL1KDM4E
SCHEMBL5377419 0.73 P2RX3 (0.44) FFAR1FFAR4CYP3A4CYP2C9NPC1
SCHEMBL5385574 0.71 FFAR1 (0.45) FFAR1FFAR4MAPT
SCHEMBL5376305 0.71 NPC1 (0.50) FFAR1AVPR1AHPGDHSD17B10NPSR1
Sipoglitazar SCHEMBL5380746 0.71 ALDH1A1 (0.47) FFAR1FFAR4HSD17B10KDM4ENPC1
SCHEMBL5385710 0.71 DGAT1 (0.36) FFAR1FFAR4HPGDNPC1MAPT
SCHEMBL5376445 0.71 PPARG (0.34) FFAR1FFAR4L3MBTL1CYP2C9LMNA

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