SCHEMBL8259873

SCHEMBL8259873

CCOOC[C@H](CCc1ccccc1)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 2/20 0.52
ANPEP P15144 1/20 0.52
ERAP1 Q9NZ08 1/20 0.52
GHSR Q92847 6/20 0.52
MEN1 O00255 1/20 0.49
HCRTR1 O43613 1/20 0.49
KMT2A Q03164 1/20 0.49
IL1RN P18510 1/20 0.48

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
SCHEMBL8251294 1.00 ERAP2 (0.52) ERAP2ANPEPERAP1GHSRMEN1
SCHEMBL8248386 0.94 GHSR (0.53) ERAP2ANPEPERAP1GHSR
SCHEMBL8257540 0.94 GHSR (0.53) ERAP2ANPEPERAP1GHSR
SCHEMBL12433263 0.88 ERAP2 (0.56) ERAP2ANPEPERAP1GHSRMEN1
SCHEMBL13852888 0.88 ERAP2 (0.56) ERAP2ANPEPERAP1GHSRMEN1
SCHEMBL8254030 0.88 CCKBR (0.49) ERAP2ANPEPERAP1
SCHEMBL13852889 0.83 GHSR (0.56) ERAP2ANPEPERAP1GHSR
SCHEMBL13852890 0.83 GHSR (0.56) ERAP2ANPEPERAP1GHSR
SCHEMBL12433274 0.81 GHSR (0.59) ERAP2ANPEPERAP1GHSR
SCHEMBL13853026 0.81 GHSR (0.59) ERAP2ANPEPERAP1GHSR

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-1899365-B1 ANGIOTENSIN I-CONVERTING ENZYME (ACE) INHIBITORS UNIV CAPE TOWN (ZA) 2012-09-12 EP disclosed
US-7981922-B2 Angiotensin I-converting enzyme (ACE) inhibitors UNIVERSITY OF CAPE TOWN (ZA) 2011-07-19 US disclosed
WO-2006126087-A2 ANGIOTENSIN I-CONVERTING ENZYME (ACE) INHIBITORS UNIVERSITY OF CAPE TOWN (ZA) 2006-11-30 WO disclosed