SCHEMBL7290358

SCHEMBL7290358

CN(CC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.54
ACE P12821 2/20 0.54
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
MMP9 P14780 3/20 0.53
HRH4 Q9H3N8 1/20 0.52
PIN1 Q13526 1/20 0.47
MMP8 P22894 2/20 0.47
MMP14 P50281 1/20 0.47
TACR1 P25103 1/20 0.46
CTNNB1 P35222 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MMP2 P08253 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.42
OPRD1 P41143 2/20 0.42
OPRM1 P35372 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7265320 0.83 OPRK1 (0.58) MMEACECPA1ACE2MMP9
SCHEMBL8673931 0.82 ACE (0.61) MMEACECPA1ACE2MMP9
SCHEMBL3661115 0.82 ACE (0.61) MMEACECPA1ACE2MMP9
SCHEMBL7286768 0.82 MME (0.64) MMEACECPA1ACE2MMP9
SCHEMBL7369017 0.82 ACE (0.53) MMEACEKMT2A
SCHEMBL3654490 0.82 MME (0.64) MMEACECPA1ACE2MMP9
SCHEMBL8673936 0.82 MME (0.64) MMEACECPA1ACE2MMP9
SCHEMBL7290284 0.81 MME (0.53) MMEACECPA1ACE2MMP9
SCHEMBL3660841 0.81 MME (0.62) MMEACECPA1ACE2MMP9
SCHEMBL8668240 0.81 MME (0.62) MMEACECPA1ACE2MMP9

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
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP disclosed