SCHEMBL4985134

SCHEMBL4985134

CCC(C)C(N)C(=O)N(C(=O)C(N)C(C)C)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.44
SLC15A1 P46059 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
MME P08473 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ANPEP P15144 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
DNPEP Q9ULA0 1/20 0.40
TRPA1 O75762 2/20 0.40
CYP2D6 P10635 1/20 0.40
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39

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
SCHEMBL29112225 0.87 ALPI (0.50) SLC15A1SLC1A3SLC1A2SLC1A1ALPI
SCHEMBL29112223 0.87 ALPI (0.50) SLC15A1SLC1A3SLC1A2SLC1A1ALPI
SCHEMBL7678271 0.86 SLC7A5 (0.48) ACESLC7A5MMECPA1ACE2
SCHEMBL7678296 0.86 SLC7A5 (0.48) ACESLC7A5MMECPA1ACE2
SCHEMBL10646229 0.81 SLC1A3 (0.51) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL31530460 0.80 MMP2 (0.51) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL28916818 0.78 ALPI (0.44) SLC15A1SLC1A3SLC1A2SLC1A1ALPI
SCHEMBL4966689 0.78 SLC7A5 (0.38) SLC1A3SLC1A2SLC1A1SLC7A5RNPEP
SCHEMBL27903271 0.77 MC4R (0.46) SLC1A3SLC1A2SLC1A1ALPIPKM
SCHEMBL27903274 0.77 MC4R (0.46) SLC1A3SLC1A2SLC1A1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101279095-A Dried composition OTSUKA PHARMA CO LTD (JP) 2008-10-08 CN disclosed
US-20080050438-A1 Dry compositions OTSUKA PHARMACEUTICAL CO., LTD. 2008-02-28 US disclosed
EP-0869816-B1 DRY COMPOSITIONS COMPRISING HYDROPHOBIC STABILIZERS OTSUKA PHARMA CO LTD (JP) 2004-12-15 EP disclosed
EP-1424066-A1 Dry compositions comprising hydrophobic stabilisers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP disclosed
US-20030138402-A1 Dry compositions OTSUKA PHARMACEUTICAL CO., LTD. 2003-07-24 US disclosed
CN-1205643-A dry composition OTSUKA PHARMA CO LTD (JP) 1999-01-20 CN disclosed
EP-0869816-A1 DRY COMPOSITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
WO-1997023239-A1 DRY COMPOSITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-03 WO disclosed