SCHEMBL7433223

SCHEMBL7433223

Cc1nc(-c2cccc(COc3cccc4ccc(=O)n(Cc5cccc(-c6noc(C)n6)c5)c34)c2)no1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.50
HCRTR1 O43613 4/20 0.49
HCRTR2 O43614 4/20 0.49
SLC6A4 P31645 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
DAO P14920 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR1 P21453 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
SCHEMBL7424907 0.95 SLC6A4 (0.47) METHCRTR1HCRTR2SLC6A4L3MBTL1
SCHEMBL7424860 0.87 HCRTR1 (0.50) METHCRTR1HCRTR2SLC6A4L3MBTL1
SCHEMBL7428425 0.85 MET (0.47) METHCRTR1HCRTR2L3MBTL1DAO
SCHEMBL7421333 0.84 MET (0.53) METHCRTR1HCRTR2L3MBTL1DAO
SCHEMBL7429461 0.83 MET (0.50) METHCRTR1HCRTR2SLC6A4L3MBTL1
SCHEMBL7433220 0.82 MET (0.49) METHCRTR1HCRTR2SLC6A4L3MBTL1
SCHEMBL7424354 0.80 SLC6A4 (0.42) METHCRTR1HCRTR2SLC6A4L3MBTL1
SCHEMBL7429033 0.79 ALOX5AP (0.48) METHCRTR1HCRTR2SLC6A4L3MBTL1
SCHEMBL7424881 0.78 SLC6A4 (0.52) METHCRTR1HCRTR2SLC6A4L3MBTL1
SCHEMBL7424903 0.78 ALOX5AP (0.49) METHCRTR1HCRTR2SLC6A4L3MBTL1

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-1107954-A1 2-OXO-$i(2H)-QUINOLINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-06-20 EP disclosed
WO-2000012479-A1 2-OXO-2H-QUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-03-09 WO disclosed