SCHEMBL7564649

SCHEMBL7564649

CC(=O)Oc1cn(Cc2ccc(OCc3ccccc3)cc2)nc1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
HRH3 Q9Y5N1 1/20 0.43
S1PR5 Q9H228 1/20 0.43
KMT2A Q03164 2/20 0.43
NR4A2 P43354 1/20 0.43
GPR34 Q9UPC5 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
HDAC1 Q13547 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7542977 0.83 FFAR1 (0.46) MAOBHRH3SMN1; SMN2PTGS1PTGS2
SCHEMBL5381126 0.82 PTGDR2 (0.48) MAOBHRH3S1PR5NR4A2GPR34
SCHEMBL7549147 0.82 PTGDR2 (0.53) MAOBHRH3S1PR5KMT2ANR4A2
SCHEMBL5380988 0.81 MMP13 (0.49) KMT2ASMN1; SMN2PTGDR2NPC1LMNA
SCHEMBL7549149 0.81 GPR34 (0.43) MAOBHRH3S1PR5KMT2ANR4A2
SCHEMBL5381994 0.81 KMT2A (0.44) MAOBHRH3S1PR5KMT2ANR4A2
SCHEMBL5372015 0.80 KMT2A (0.65) KMT2ASMN1; SMN2PTGS1PTGS2NPC1
SCHEMBL5383037 0.80 GAA (0.68) MAOBHRH3KMT2ASMN1; SMN2PTGS1
SCHEMBL5383039 0.80 GAA (0.68) MAOBHRH3KMT2ASMN1; SMN2PTGS1
SCHEMBL7567690 0.79 CYP19A1 (0.51) KMT2ASMN1; SMN2PTGDR2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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