SCHEMBL9876282

SCHEMBL9876282

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 14/20 0.49
MMP3 P08254 2/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
CAPN1 P07384 1/20 0.45
CAPN2 P17655 1/20 0.45
CCR1 P32246 1/20 0.43
CTSL P07711 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 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
SCHEMBL10631292 0.95 REN (0.46) RENMMP3MMP1MMP2CCR1
SCHEMBL10631298 0.95 REN (0.46) RENMMP3MMP1MMP2CCR1
Hydrochloric Acid SCHEMBL9876220 0.94 REN (0.46) RENMMP3MMP1MMP2CCR1
Hydrochloric Acid SCHEMBL9876222 0.94 REN (0.46) RENMMP3MMP1MMP2CCR1
SCHEMBL9874408 0.90 REN (0.49) RENMMP3MMP1MMP2CAPN1
SCHEMBL10764883 0.85 REN (0.62) REN
SCHEMBL9876531 0.85 REN (0.62) REN
Hydrochloric Acid SCHEMBL9876294 0.85 REN (0.58) RENCCR1METAP2
Hydrochloric Acid SCHEMBL9876295 0.85 REN (0.58) RENCCR1METAP2
SCHEMBL7365890 0.84 REN (0.47) RENMMP3MMP1MMP2CAPN1

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