SCHEMBL5317595

SCHEMBL5317595

CCCNc1ccc(C(=O)OC)cc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.67
MAPT P10636 5/20 0.67
ALDH1A1 P00352 4/20 0.67
KDM4E B2RXH2 3/20 0.67
HSD17B10 Q99714 2/20 0.67
PTGER4 P35408 4/20 0.65
ERAP2 Q6P179 4/20 0.57
LNPEP Q9UIQ6 4/20 0.57
HPGD P15428 2/20 0.55
GLA P06280 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
ATM Q13315 1/20 0.55
THRB P10828 1/20 0.55
HTT P42858 1/20 0.55
GFER P55789 1/20 0.55
PLEC Q15149 1/20 0.55
PRSS1 P07477 5/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL1205232 0.88 LNPEP (0.57) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL1306650 0.88 GAA (0.67) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL1543144 0.88 GAA (0.71) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL1307539 0.87 GAA (0.66) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL2245361 0.87 GAA (0.66) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL2249029 0.87 PTGER4 (0.80) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL29825520 0.87 PTGER4 (0.80) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL13076223 0.86 PTGER4 (0.56) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL20797770 0.86 PTGER4 (0.70) GAAMAPTALDH1A1KDM4EHSD17B10
SCHEMBL22118804 0.84 GAA (0.58) GAAMAPTALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 WO disclosed