SCHEMBL9876267

SCHEMBL9876267

COC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)C[C@H](OC1CCCCO1)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.41
REN P00797 12/20 0.38
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FKBP1A P62942 1/20 0.34
CTSD P07339 1/20 0.34
CTSE P14091 1/20 0.34
BACE1 P56817 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
KMT2A Q03164 1/20 0.34
PEPD P12955 1/20 0.33

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
SCHEMBL9876718 0.85 REN (0.49) KLK5RENCTSDCTSEBACE1
SCHEMBL9876722 0.85 REN (0.49) KLK5RENCTSDCTSEBACE1
SCHEMBL7360605 0.84 REN (0.46) RENCTSSCTSK
SCHEMBL10675537 0.84 REN (0.46) RENCTSSCTSK
SCHEMBL10673839 0.84 REN (0.46) RENCTSSCTSK
SCHEMBL10625927 0.82 REN (0.46) RENCTSSCTSK
SCHEMBL9876630 0.80 REN (0.44) RENCTSK
SCHEMBL7357503 0.76 REN (0.52) REN
SCHEMBL21536111 0.74 CTSK (0.53) KLK5LMNARAB9ASMN1; SMN2FKBP1A
SCHEMBL28286258 0.74 CTSK (0.53) KLK5LMNARAB9ASMN1; SMN2FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992562-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1991-02-12 US disclosed
US-4948913-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1990-08-14 US disclosed
US-4729985-A Renin inhibitors containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1988-03-08 US disclosed
EP-0212903-A2 Polypeptide derivatives containing 5-amino-2,5-disubstituted-4-hydroxypentanoic acid residues PFIZER INC. (US) 1987-03-04 EP disclosed