SCHEMBL9750070

SCHEMBL9750070

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@@H]1C[C@@H](Cc2ccccc2Cl)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.39
CTSS P25774 3/20 0.38
CTSK P43235 2/20 0.38
REN P00797 10/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CACNA1B Q00975 1/20 0.36
CYP3A4 P08684 1/20 0.35
PGC P20142 1/20 0.34

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
SCHEMBL9876609 0.88 REN (0.44) CTSSCTSKRENCYP3A4
SCHEMBL8892262 0.87 CTSS (0.42) SCN9ACTSSCTSKRENCACNA1B
SCHEMBL8893431 0.87 CTSS (0.42) SCN9ACTSSCTSKRENCACNA1B
SCHEMBL9749523 0.86 CACNA1B (0.43) CTSSCTSKRENNPC1RAB9A
SCHEMBL9749944 0.85 CTSS (0.37) CTSSCTSKRENCACNA1BCYP3A4
SCHEMBL9749519 0.85 CTSL (0.41) CTSSCTSKRENCACNA1BCYP3A4
SCHEMBL8894525 0.84 CTSS (0.39) SCN9ACTSSCTSKRENRAB9A
SCHEMBL7442988 0.84 CTSS (0.39) SCN9ACTSSCTSKRENRAB9A
SCHEMBL9750052 0.83 CTSS (0.39) CTSSCTSKRENNPC1RAB9A
SCHEMBL9876362 0.83 CTSS (0.41) CTSSCTSKRENCACNA1BCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212903-B1 POLYPEPTIDE DERIVATIVES CONTAINING 5-AMINO-2,5-DISUBSTITUTED-4-HYDROXYPENTANOIC ACID RESIDUES PFIZER INC. (US) 1992-12-30 EP disclosed
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