SCHEMBL7290280

SCHEMBL7290280

CCCCC(NC)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.64
ACE P12821 4/20 0.64
CPA1 P15085 3/20 0.64
ACE2 Q9BYF1 3/20 0.64
HRH4 Q9H3N8 1/20 0.56
MMP9 P14780 3/20 0.50
MMP8 P22894 2/20 0.50
MMP14 P50281 1/20 0.50
MMP2 P08253 1/20 0.47
FOLH1 Q04609 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
ECE1 P42892 2/20 0.44
CTNNB1 P35222 1/20 0.43

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
SCHEMBL3659333 0.87 ACE (0.68) MMEACECPA1ACE2HRH4
SCHEMBL4653549 0.86 MME (0.67) MMEACECPA1ACE2HRH4
SCHEMBL7265315 0.84 HRH4 (0.69) MMEACECPA1ACE2HRH4
SCHEMBL3662472 0.83 HRH4 (0.67) MMEACECPA1ACE2HRH4
SCHEMBL31510462 0.83 MME (0.57) MMEACECPA1ACE2HRH4
SCHEMBL5170045 0.82 MME (0.59) MMEACECPA1ACE2HRH4
SCHEMBL5171664 0.82 MME (0.59) MMEACECPA1ACE2HRH4
SCHEMBL3658077 0.82 ACE (0.67) MMEACECPA1ACE2HRH4
SCHEMBL10867305 0.81 HRH4 (0.56) MMEACECPA1ACE2HRH4
SCHEMBL10867308 0.81 HRH4 (0.56) 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