SCHEMBL9876342

SCHEMBL9876342

COC(=O)C1CCCN1C(=O)[C@H](CC(C)C)C[C@H](O)[C@@H](N)CC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PEPD P12955 6/20 0.49
XPNPEP1 Q9NQW7 4/20 0.44
REN P00797 1/20 0.43
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP3 P08254 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSH P09668 1/20 0.38
CTSK P43235 1/20 0.38
FKBP1A P62942 3/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
LNPEP Q9UIQ6 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL9876344 1.00 PEPD (0.49) PEPDXPNPEP1RENLMNARAB9A
SCHEMBL9876718 0.81 REN (0.49) PEPDREN
SCHEMBL9876722 0.81 REN (0.49) PEPDREN
SCHEMBL21536110 0.79 PEPD (0.54) PEPDXPNPEP1LMNARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28286265 0.78 PEPD (0.53) PEPDXPNPEP1LMNARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28286264 0.78 PEPD (0.53) PEPDXPNPEP1LMNARAB9ASMN1; SMN2
SCHEMBL4067269 0.76 DPP4 (0.59) PEPDXPNPEP1RENLMNAMMP3
SCHEMBL7403908 0.76 DPP4 (0.59) PEPDXPNPEP1RENLMNAMMP3
SCHEMBL4067266 0.76 DPP4 (0.59) PEPDXPNPEP1RENLMNAMMP3
Hydrochloric Acid SCHEMBL7350214 0.75 DPP4 (0.58) PEPDXPNPEP1RENLMNAMMP3

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