SCHEMBL8991404

SCHEMBL8991404

CCC[C@@H]([C]=O)NC(=O)[C@@H](N)CCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 10/20 0.50
DPP9 Q86TI2 10/20 0.50
DPP8 Q6V1X1 9/20 0.50
DPP4 P27487 7/20 0.50
SLC15A1 P46059 1/20 0.40
CTSC P53634 4/20 0.38
RRM1 P23921 1/20 0.37
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
GRIK1 P39086 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35

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
SCHEMBL9797628 1.00 DPP7 (0.50) DPP7DPP9DPP8DPP4SLC15A1
SCHEMBL7613327 0.91 DPP7 (0.58) DPP7DPP9DPP8DPP4SLC15A1
SCHEMBL8991336 0.89 DPP9 (0.53) DPP7DPP9DPP8DPP4CTSC
SCHEMBL8495681 0.87 DPP7 (0.56) DPP7DPP9DPP8DPP4SLC15A1
SCHEMBL9514734 0.87 CTSC (0.44) DPP7DPP9DPP8DPP4SLC15A1
SCHEMBL10349778 0.87 CTSC (0.44) DPP7DPP9DPP8DPP4SLC15A1
SCHEMBL10441973 0.87 CTSC (0.44) DPP7DPP9DPP8DPP4SLC15A1
SCHEMBL9797642 0.86 SLC7A5 (0.40) DPP7DPP9DPP8DPP4SLC15A1
SCHEMBL7557893 0.86 SLC7A5 (0.40) DPP7DPP9DPP8DPP4SLC15A1
SCHEMBL2182387 0.86 DPP7 (0.57) DPP7DPP9DPP8DPP4SLC15A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0238245-B1 3-HALOVINYLGLYCINE ANTIBACTERIAL AGENTS MERCK & CO. INC. (US) 1990-06-20 EP claimed
EP-0238245-A1 3-Halovinylglycine antibacterial agents MERCK & CO. INC. (US) 1987-09-23 EP claimed
EP-0722456-A1 ANTIFUNGAL COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 1996-07-24 EP disclosed
WO-1995009867-A1 ANTIFUNGAL COMPOSITIONS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-04-13 WO disclosed
EP-0353317-B1 TRIPEPTIDES OF N3-4-METHOXYFUMARYL-L-2,3-DIAMINOPROPANOIC ACID AND THE METHOD OF THEIR OBTAINING POLITECHNIKA GDANSKA (PL) 1993-10-06 EP disclosed
US-5030732-A Antiacterial agents MERCK & CO., INC. (US) 1991-07-09 US disclosed
EP-0282219-B1 AMINOETHYLPHOSPHINIC ACID DERIVATIVES MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1991-07-03 EP disclosed
EP-0238245-B1 3-HALOVINYLGLYCINE ANTIBACTERIAL AGENTS MERCK & CO. INC. (US) 1990-06-20 EP disclosed
US-4806680-A REACTING IN N-PROTECTED VINYLGLYCINE ESTER WITH ARYLSELENENYL HALIDE, OXIDATION THE ADDUCT, HEATING IN MINERAL ACID MERCK & CO., INC. (US) 1989-02-21 US disclosed
EP-0282219-A1 Aminoethylphosphinic acid derivatives MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1988-09-14 EP disclosed
US-4727062-A INHIBITORS OF ALANINE RACEMASE MERCK & CO., INC. (US) 1988-02-23 US disclosed
EP-0238245-A1 3-Halovinylglycine antibacterial agents MERCK & CO. INC. (US) 1987-09-23 EP disclosed