SCHEMBL8905663

SCHEMBL8905663

C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 9/20 0.74
ACE P12821 2/20 0.64
GHSR Q92847 3/20 0.64
ANPEP P15144 2/20 0.58
IL1RN P18510 2/20 0.58
ERAP2 Q6P179 2/20 0.58
ERAP1 Q9NZ08 2/20 0.58
LNPEP Q9UIQ6 1/20 0.58
CTSC P53634 1/20 0.57
MMP1 P03956 1/20 0.57
MMP3 P08254 1/20 0.57
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57

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
SCHEMBL16566050 1.00 ECE1 (0.74) ECE1ACEGHSRANPEPIL1RN
SCHEMBL23875110 0.93 ECE1 (0.64) ECE1ACEGHSRCTSCMMP1
SCHEMBL19929604 0.93 ECE1 (0.77) ECE1ACEMMP1MMP3MMP9
SCHEMBL29400177 0.90 ACE (0.78) ECE1ACE
SCHEMBL9235805 0.90 ACE (0.78) ECE1ACE
SCHEMBL2488765 0.90 ACE (0.78) ECE1ACE
SCHEMBL1228369 0.90 ACE (0.78) ECE1ACE
SCHEMBL9235801 0.90 ACE (0.78) ECE1ACE
SCHEMBL30799670 0.89 GHSR (0.68) ECE1ACEGHSRERAP2MMP1
SCHEMBL5558360 0.89 ECE1 (0.69) ECE1ACEGHSRCTSC

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
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 WO disclosed
EP-0753004-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS Japat Ltd (CH) 1997-01-15 EP disclosed