SCHEMBL25488443

SCHEMBL25488443

CC(C)C[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCC(=O)C=[N+]=N)C(=O)OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 9/20 0.35
NPY1R P25929 6/20 0.35
NPY2R P49146 4/20 0.33
NPY5R Q15761 4/20 0.33
BIRC2 Q13490 3/20 0.33
IL1RN P18510 1/20 0.32
ERAP2 Q6P179 1/20 0.32
MME P08473 1/20 0.30
ANPEP P15144 2/20 0.30
RNPEP Q9H4A4 2/20 0.30
DNPEP Q9ULA0 1/20 0.30

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
SCHEMBL20468541 0.97 ANPEP (0.32) NPY4RNPY1RBIRC2ERAP2MME
SCHEMBL20465433 0.89 CTSB (0.37) NPY4RNPY1RNPY2RNPY5RBIRC2
SCHEMBL25760775 0.89 L3MBTL1 (0.37) NPY4RNPY1RNPY2RNPY5RBIRC2
SCHEMBL20468520 0.85 L3MBTL1 (0.39) ERAP2MMEANPEPRNPEPDNPEP
SCHEMBL20465427 0.85 CTSL (0.32) BIRC2ERAP2ANPEPRNPEPDNPEP
SCHEMBL18451208 0.85 CTSL (0.32) BIRC2ERAP2ANPEPRNPEPDNPEP
SCHEMBL18476683 0.84 MME (0.34) NPY4RNPY1RBIRC2ERAP2MME
SCHEMBL26946628 0.84 MME (0.34) NPY4RNPY1RBIRC2ERAP2MME
SCHEMBL21473358 0.83 BIRC2 (0.33) NPY4RNPY1RNPY2RBIRC2IL1RN
SCHEMBL25487396 0.83 FOLH1 (0.43) ERAP2MMEANPEPRNPEPDNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081832-A1 METHODS FOR PREVENTING AND TREATING ACUTE KIDNEY INJURY THE JOHNS HOPKINS UNIVERSITY (US) 2023-05-11 WO disclosed