SCHEMBL9787728

SCHEMBL9787728

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
ANPEP P15144 2/20 0.36
RNPEP Q9H4A4 2/20 0.36
DNPEP Q9ULA0 1/20 0.36
CAPN1 P07384 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
CTSL P07711 2/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL30053525 0.82 SLC7A5 (0.47) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL10609673 0.82 SLC7A5 (0.47) SLC7A5ANPEPRNPEPDNPEPSLC1A3
Water SCHEMBL30053421 0.80 SLC7A5 (0.45) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL6991039 0.76
SCHEMBL7786553 0.74 DGAT1 (0.34)
SCHEMBL7379084 0.71 CYP2D6 (0.33) CA1CA2CA7
SCHEMBL66234 0.71 SLC7A5 (0.50) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL66233 0.71 SLC7A5 (0.50) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL2541315 0.71 SLC7A5 (0.50) SLC7A5ANPEPRNPEPDNPEPSLC1A3
Hydrochloric Acid SCHEMBL953367 0.70 SLC7A5 (0.48) SLC7A5ANPEPRNPEPDNPEPSLC1A3

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
US-4997950-A Antisecretory MURPHY RICHARD FINBAR (US) 1991-03-05 US disclosed