SCHEMBL8041876

SCHEMBL8041876

COC(=O)c1ccc(NCC2CCOC2)c(N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.61
MAPT P10636 5/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
GAA P10253 4/20 0.49
HSD17B10 Q99714 2/20 0.49
LRRK2 Q5S007 1/20 0.44
HPGD P15428 3/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
ALOX15 P16050 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ERAP2 Q6P179 3/20 0.42
LNPEP Q9UIQ6 3/20 0.42
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 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
SCHEMBL3996157 0.93 PTGER4 (0.67) PTGER4MAPTKDM4EALDH1A1GAA
SCHEMBL25734417 0.91 PTGER4 (0.49) PTGER4MAPTKDM4EALDH1A1GAA
SCHEMBL24900141 0.91 PTGER4 (0.49) PTGER4MAPTKDM4EALDH1A1GAA
SCHEMBL24900042 0.91 PTGER4 (0.49) PTGER4MAPTKDM4EALDH1A1GAA
SCHEMBL22382478 0.90 PTGER4 (0.77) PTGER4MAPTKDM4EALDH1A1GAA
SCHEMBL3998365 0.86 PTGER4 (0.79) PTGER4MAPTKDM4EALDH1A1GAA
SCHEMBL25734679 0.84 LRRK2 (0.42) PTGER4KDM4EALDH1A1LRRK2GLA
SCHEMBL8034115 0.83 HCAR3 (0.53) PTGER4MAPTALDH1A1HPGDNPC1
SCHEMBL3764360 0.83 PTGER4 (0.70) PTGER4MAPTKDM4EALDH1A1GAA
SCHEMBL29052950 0.82 PTGER4 (0.58) PTGER4MAPTKDM4EALDH1A1GAA

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-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed