SCHEMBL7272341

SCHEMBL7272341

O=C(CN1CCOCC1)N[C@@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 2/20 0.55
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
MAPT P10636 3/20 0.54
PSMB8 P28062 2/20 0.54
PSMB5 P28074 1/20 0.54
NPFFR1 Q9GZQ6 1/20 0.53
NPFFR2 Q9Y5X5 1/20 0.53
USP2 O75604 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
HRH4 Q9H3N8 1/20 0.50
MTNR1A P48039 1/20 0.50

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
SCHEMBL7275612 0.87 TACR1 (0.58) ALDH1A1KDM4EMAPTHTTGAA
SCHEMBL7288345 0.85 ALDH1A1 (0.63) LMNAALDH1A1KDM4EMAPTNPFFR1
SCHEMBL756847 0.85 KDM4E (0.55) ALDH1A1KDM4EMAPTGAAMMP2
SCHEMBL2780950 0.85 KDM4E (0.55) ALDH1A1KDM4EMAPTGAAMMP2
SCHEMBL2632588 0.84 USP2 (0.61) SMN1; SMN2LMNAALDH1A1MAPTPSMB8
SCHEMBL18964686 0.80 HTT (0.59) SMN1; SMN2LMNAALDH1A1KDM4EMAPT
SCHEMBL17706113 0.80 HTT (0.59) SMN1; SMN2LMNAALDH1A1KDM4EMAPT
SCHEMBL8671488 0.79 HRH4 (0.60) TDP1MMP2MMP9MMP8HRH4
SCHEMBL3662089 0.79 HRH4 (0.60) TDP1MMP2MMP9MMP8HRH4
SCHEMBL3662085 0.79 HRH4 (0.60) TDP1MMP2MMP9MMP8HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
US-5364844-A Hypotensive agents SANKYO COMPANY, LIMITED (JP) 1994-11-15 US disclosed
EP-0274259-B1 New renin-inhibitory oligopeptides, their preparaton and their use SANKYO CO (JP) 1994-02-16 EP disclosed
EP-0326364-A2 Renin inhibitory oligopeptides, their preparation and use Sankyo Company Limited (JP) 1989-08-02 EP disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP disclosed