SCHEMBL10668345

SCHEMBL10668345

CC(C)(NC(=S)CCC(=O)C(Cc1c[nH]cn1)NC(=O)[C@H](CCCCN)NC(=O)C1CCCC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.48
▸ CTSB P07858 9/20 0.39
▸ CTSK P43235 5/20 0.39
▸ CTSS P25774 5/20 0.39
▸ CTSH P09668 4/20 0.39
▸ CTSL P07711 4/20 0.39
▸ CTSF Q9UBX1 2/20 0.39
▸ CTSV O60911 1/20 0.39

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
SCHEMBL10668348 1.00 ACE (0.48) ACECTSBCTSKCTSSCTSH
SCHEMBL11075153 0.89 ACE (0.38) ACE
SCHEMBL11040565 0.82 CTSB (0.47) ACECTSBCTSKCTSSCTSH
SCHEMBL10667341 0.73 TDP1 (0.43) ACE
SCHEMBL11036872 0.72 CTSK (0.43) ACECTSKCTSS
SCHEMBL10663870 0.72 ITGB3 (0.41) CTSKCTSS
SCHEMBL11398388 0.71 REN (0.46) ACECTSKCTSS
SCHEMBL11398373 0.71 REN (0.46) ACECTSKCTSS
SCHEMBL11407330 0.70 — —
SCHEMBL9829694 0.70 LMNA (0.43) —

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
US-4745124-A THIO/ESTER PEPTIDES UNIVERSITY OF MIAMI (US) 1988-05-17 — — US disclosed
EP-0036713-B1 ANGIOTENSIN CONVERTING ENZYME INHIBITORS UNIVERSITY OF MIAMI (US) 1984-01-18 — — EP disclosed
EP-0036713-A2 Angiotensin converting enzyme inhibitors UNIVERSITY OF MIAMI (US) 1981-09-30 — — EP disclosed
Send feedback