SCHEMBL8426441

SCHEMBL8426441

CC#CC(=O)N(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
PSMB5 P28074 1/20 0.36
GAA P10253 1/20 0.35
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTR1A P08908 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP2E1 P05181 1/20 0.31

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
SCHEMBL31271521 0.73 LMNA (0.34) LMNAMMP1MMP2MMP3MMP8
SCHEMBL1632731 0.72
SCHEMBL17652331 0.72 PSMB5 (0.40) LMNAPSMB5CA12CA1CA9
SCHEMBL3936615 0.70
SCHEMBL8439312 0.70
SCHEMBL19315958 0.70 USP2 (0.35) LMNAALDH1A1TSHR
SCHEMBL13028437 0.69
SCHEMBL7843015 0.65 LMNA (0.46) LMNAMMP1MMP2MMP3MMP8
SCHEMBL210439 0.64 LMNA (0.52) LMNAMMP1MMP2MMP3MMP8
SCHEMBL28687211 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512901-B1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1999-06-23 EP disclosed
EP-0591040-B1 Quaternary basic amides as tachykinines antagonists SANOFI SA (FR) 1999-02-03 EP disclosed
EP-0474561-B1 Arylalkylamines, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-12-09 EP disclosed
EP-0515240-B1 N-(aminoalkyl)piperidine compounds and their enantiomers as neurokinines receptors antagonists, processes for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-09-24 EP disclosed
EP-0591040-A1 Quaternary basic amides as tachykinines antagonists SANOFI (FR) 1994-04-06 EP disclosed
WO-1993018002-A1 QUATERNARY SALTS OF 4-SUBSTITUTED PIPERIDINES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-09-16 WO disclosed
EP-0559538-A1 Quaternary salts of 4-substituted piperidines, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-09-08 EP disclosed
EP-0375560-B1 ARYLOXYPROPANOLAMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-05-12 EP disclosed
EP-0515240-A1 N-alkylidene piperidine compounds and their enatiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-25 EP disclosed
EP-0512902-A1 Dialkyleneperidino compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-11 EP disclosed
EP-0512901-A1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-11 EP disclosed
EP-0474561-A1 Arylalkylamines, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-03-11 EP disclosed
EP-0428434-A2 Compounds of aromatic amines and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1991-05-22 EP disclosed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 EP disclosed