SCHEMBL7549149

SCHEMBL7549149

COC(=O)Cc1cn(Cc2ccc(OCc3ccccc3)cc2)nc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 2/20 0.43
HDAC1 Q13547 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
S1PR5 Q9H228 1/20 0.42
KMT2A Q03164 3/20 0.41
NR4A2 P43354 1/20 0.41
CHRM4 P08173 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRKAA2 P54646 1/20 0.41
KCNK3 O14649 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 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
SCHEMBL5381126 0.90 PTGDR2 (0.48) GPR34HDAC1PTGDR2HDAC7HRH3
SCHEMBL5381994 0.85 KMT2A (0.44) GPR34HDAC1HDAC7HRH3S1PR5
SCHEMBL5384888 0.83 HDAC1 (0.55) HDAC1PTGDR2HDAC7HRH3KMT2A
SCHEMBL2822604 0.82 FFAR1 (0.56) HDAC1HDAC7
SCHEMBL7564649 0.81 MAOB (0.45) GPR34HDAC1PTGDR2HRH3S1PR5
SCHEMBL5380946 0.81 CYP19A1 (0.44) KMT2AALDH1A1MAOBMEN1
SCHEMBL5380988 0.79 MMP13 (0.49) PTGDR2KMT2ANPC1ALDH1A1RAB9A
SCHEMBL16381990 0.79 HRH3 (0.40) HDAC1PTGDR2HDAC7HRH3S1PR5
SCHEMBL5372015 0.78 KMT2A (0.65) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5383039 0.78 GAA (0.68) HRH3KMT2ANPC1ALDH1A1RAB9A

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