SCHEMBL7290284

SCHEMBL7290284

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.53
ACE P12821 2/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
MMP9 P14780 3/20 0.49
HRH4 Q9H3N8 1/20 0.48
PIN1 Q13526 1/20 0.44
MMP8 P22894 2/20 0.43
MMP14 P50281 1/20 0.43
TACR1 P25103 1/20 0.43
HIF1A Q16665 2/20 0.42
OPRK1 P41145 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CTNNB1 P35222 1/20 0.41
CCKBR P32239 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP2 P08253 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 0.84 OPRK1 (0.58) MMEACECPA1ACE2MMP9
SCHEMBL3660997 0.83 MME (0.59) MMEACECPA1ACE2MMP9
SCHEMBL8668232 0.83 MME (0.59) MMEACECPA1ACE2MMP9
SCHEMBL3658383 0.82 MME (0.58) MMEACECPA1ACE2MMP9
SCHEMBL8673998 0.82 MME (0.58) MMEACECPA1ACE2MMP9
SCHEMBL8668240 0.82 MME (0.62) MMEACECPA1ACE2MMP9
SCHEMBL3660841 0.82 MME (0.62) MMEACECPA1ACE2MMP9
SCHEMBL3660699 0.81 FAAH (0.58) MMEACECPA1ACE2HRH4
SCHEMBL3663736 0.81 FAAH (0.58) MMEACECPA1ACE2HRH4
SCHEMBL3658643 0.81 FAAH (0.58) MMEACECPA1ACE2HRH4

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