SCHEMBL7424907

SCHEMBL7424907

Cc1nc(-c2ccc(Cn3c(=O)ccc4cccc(OCc5cccc(-c6noc(C)n6)c5)c43)cc2)no1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.47
MET P08581 1/20 0.46
HCRTR1 O43613 4/20 0.45
HCRTR2 O43614 4/20 0.45
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC8 Q9BY41 2/20 0.43
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
ALOX5AP P20292 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
DAO P14920 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL7433223 0.95 MET (0.50) SLC6A4METHCRTR1HCRTR2SPHK2
SCHEMBL7429033 0.84 ALOX5AP (0.48) SLC6A4METHCRTR1HCRTR2HDAC1
SCHEMBL7424903 0.83 ALOX5AP (0.49) SLC6A4METHCRTR1HCRTR2HDAC1
SCHEMBL7428425 0.83 MET (0.47) METHCRTR1HCRTR2HDAC1HDAC6
SCHEMBL7424860 0.83 HCRTR1 (0.50) SLC6A4METHCRTR1HCRTR2ALOX5AP
SCHEMBL7421333 0.80 MET (0.53) METHCRTR1HCRTR2HDAC1HDAC6
SCHEMBL7429461 0.79 MET (0.50) SLC6A4METHCRTR1HCRTR2HDAC1
SCHEMBL7428369 0.78 P2RX3 (0.43) METHCRTR1HCRTR2HDAC1HDAC6
SCHEMBL7433220 0.78 MET (0.49) SLC6A4METHCRTR1HCRTR2HDAC1
SCHEMBL7424354 0.78 SLC6A4 (0.42) SLC6A4METHCRTR1HCRTR2L3MBTL1

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