SCHEMBL1849554

SCHEMBL1849554

O=C(NCCOC(=O)c1cccc(-c2cccc3cc(Cc4cccc(Cl)c4)oc23)c1)c1cccc(-c2cccc3cc(Cc4cccc(Cl)c4)oc23)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 8/20 0.63
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SNCA P37840 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL1846595 0.90 GPR52 (0.65) GPR52MAPTKMT2AALDH1A1HPGD
SCHEMBL3219252 0.88 GPR52 (0.77) GPR52SMN1; SMN2MEN1KMT2ASNCA
SCHEMBL1849559 0.85 GPR52 (0.52) GPR52SMN1; SMN2MAPTMEN1LMNA
SCHEMBL3208741 0.85 GPR52 (0.62) GPR52MAPTSNCAL3MBTL1NPC1
SCHEMBL1852323 0.82 GPR52 (0.49) GPR52SMN1; SMN2MAPTMEN1LMNA
SCHEMBL1855788 0.82 GPR52 (0.58) GPR52MAPTSNCA
SCHEMBL3212711 0.81 GPR52 (0.55) GPR52L3MBTL1NPC1RAB9A
SCHEMBL3222089 0.78 GPR52 (0.78) GPR52MAPTSNCA
SCHEMBL1852679 0.78 GPR52 (0.72) GPR52HTTHPGD
SCHEMBL1851771 0.78 GPR52 (1.00) GPR52

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-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed