SCHEMBL4657191

SCHEMBL4657191

CC(C)C(NCC(Cc1ccccc1)NC(=O)Oc1ccccc1)C(=O)NC(CNC(=O)Oc1ccccc1)Cc1ccc(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.40
ATM Q13315 1/20 0.39
BCHE P06276 4/20 0.38
ACHE P22303 4/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PSMB11 A5LHX3 4/20 0.36
PSMA7 O14818 4/20 0.36
PSMB1 P20618 4/20 0.36
PSMA1 P25786 4/20 0.36
PSMA2 P25787 4/20 0.36
PSMA3 P25788 4/20 0.36
PSMA4 P25789 4/20 0.36
PSMB8 P28062 4/20 0.36
PSMB9 P28065 4/20 0.36
PSMA5 P28066 4/20 0.36
PSMB4 P28070 4/20 0.36
PSMB6 P28072 4/20 0.36

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
SCHEMBL4657183 0.88 CTSL (0.47) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL4656418 0.88 APP (0.43) APPATMCTSKSYK
SCHEMBL4657115 0.84 ATM (0.51) APPATMNPC1RAB9ACTSL
SCHEMBL4656232 0.79 OPRK1 (0.42) FNTAFNTB
SCHEMBL13979534 0.79 OPRK1 (0.42) FNTAFNTB
SCHEMBL4656413 0.79 SYK (0.51) APPATMCTSLCTSKSYK
SCHEMBL4657113 0.74 SYK (0.60) APPATMCTSLCTSKSYK
SCHEMBL3987635 0.74 CA2 (0.38) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL3989377 0.72 CA2 (0.39) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL3989366 0.71 MAPK1 (0.36) NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1006122-B1 PHENETHYLAMINE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2008-12-03 EP disclosed
US-6255285-B1 GASTROINTESTINAL DISORDERS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-07-03 US disclosed
EP-1006122-A1 PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-06-07 EP disclosed