SCHEMBL9874408

SCHEMBL9874408

CC(C)C[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)NCCCCCNC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.49
MMP3 P08254 3/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
CTSS P25774 3/20 0.46
CTSK P43235 3/20 0.46
CTSL P07711 2/20 0.46
METAP2 P50579 1/20 0.45
CAPN1 P07384 1/20 0.45
CAPN2 P17655 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43

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
SCHEMBL9876282 0.90 REN (0.49) RENMMP3MMP1MMP2CTSS
SCHEMBL9876326 0.89 CA1 (0.50) RENMMP3MMP1MMP2CTSS
SCHEMBL10631298 0.88 REN (0.46) RENMMP3MMP1MMP2CTSS
SCHEMBL10631292 0.88 REN (0.46) RENMMP3MMP1MMP2CTSS
Hydrochloric Acid SCHEMBL9876220 0.87 REN (0.46) RENMMP3MMP1MMP2CTSS
Hydrochloric Acid SCHEMBL9876222 0.87 REN (0.46) RENMMP3MMP1MMP2CTSS
Hydroxyamine SCHEMBL7357468 0.85 REN (0.53) RENMMP3CTSSCTSKCTSL
SCHEMBL7300559 0.83 MEN1 (0.52) RENCTSSCTSKCTSLMETAP2
SCHEMBL10459436 0.82 REN (0.47) RENMMP3MMP1MMP2
Hydrochloric Acid SCHEMBL9876910 0.82 METAP2 (0.52) RENMMP3MMP1MMP2METAP2

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