SCHEMBL8003154

SCHEMBL8003154

COc1ccc2ccc(S(=O)(=O)N3CC(=O)N(Cc4cccc(-c5noc(C)n5)c4)C(=O)C3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.47
HCRTR2 O43614 3/20 0.47
MAPT P10636 7/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 5/20 0.42
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MET P08581 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL7997616 0.91 MAPT (0.45) MAPTPOLBLMNAKDM4ETSHR
SCHEMBL7986948 0.88 GRM5 (0.45) HCRTR1HCRTR2MAPTPOLBLMNA
SCHEMBL7996031 0.88 HCRTR1 (0.47) HCRTR1HCRTR2MAPTPOLBLMNA
SCHEMBL8000061 0.86 HCRTR1 (0.43) HCRTR1HCRTR2MAPTPOLBLMNA
SCHEMBL7997760 0.80 MAPT (0.47) MAPTPOLBLMNAKDM4ETSHR
SCHEMBL7999733 0.80 MAPT (0.44) MAPTPOLBLMNAKDM4EHSD17B10
SCHEMBL7999952 0.80 LMNA (0.43) MAPTLMNAKDM4EMEN1KMT2A
SCHEMBL7999864 0.79 F10 (0.59)
SCHEMBL8003134 0.78 MAPT (0.48) MAPTPOLBLMNAKDM4ETSHR
SCHEMBL7999738 0.78 F10 (0.47) HCRTR1HCRTR2MAPTPOLBLMNA

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-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO disclosed