SCHEMBL7289252

SCHEMBL7289252

CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)O)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
OPRK1 P41145 1/20 0.55
ACE P12821 3/20 0.53
MME P08473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL7328042 0.87 ACE (0.57) PTPN1LMNAACEMMEL3MBTL1
SCHEMBL7265320 0.85 OPRK1 (0.58) MEN1KMT2AALDH1A1LMNAOPRK1
SCHEMBL7369017 0.83 ACE (0.53) PTPN1KMT2ALMNAACEMME
SCHEMBL29814575 0.83 ACE (0.53) PTPN1KMT2ALMNAACEMME
SCHEMBL7406273 0.80 MMP9 (0.47) PTPN1MEN1KMT2AALDH1A1LMNA
SCHEMBL7406279 0.80 MMP9 (0.47) PTPN1MEN1KMT2AALDH1A1LMNA
SCHEMBL22457558 0.80 ACE (0.53) PTPN1LMNAACEMMEL3MBTL1
SCHEMBL12205303 0.80 ACE (0.50) PTPN1LMNAACEMMEL3MBTL1
SCHEMBL5056790 0.80 GPR34 (0.50) PTPN1LMNAACEMMEL3MBTL1
SCHEMBL7373769 0.79 ACE (0.74) ACEMMEL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3939959-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND Nissan Chemical Corporation (JP) 2022-01-19 EP disclosed
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