SCHEMBL9352805

SCHEMBL9352805

CSCC[C@H](N)C(=O)N[C@@H](C)[C]=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.41
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
DPP4 P27487 4/20 0.37
DPP8 Q6V1X1 4/20 0.37
DPP9 Q86TI2 4/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
FNTA P49354 5/20 0.35
FNTB P49356 5/20 0.35
PGGT1B P53609 3/20 0.35
RNPEP Q9H4A4 1/20 0.34
DPP7 Q9UHL4 2/20 0.34
BHMT Q93088 1/20 0.33
BHMT2 Q9H2M3 1/20 0.33

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
SCHEMBL9352804 1.00 CTSC (0.41) CTSCMETAP2METAP1DPP4DPP8
SCHEMBL5886640 0.84 CTSC (0.40) CTSCMETAP2METAP1DPP4DPP8
SCHEMBL5886637 0.84 CTSC (0.40) CTSCMETAP2METAP1DPP4DPP8
SCHEMBL17100545 0.84 METAP2 (0.36) CTSCMETAP2METAP1FNTAFNTB
SCHEMBL14065663 0.82 METAP2 (0.44) CTSCMETAP2METAP1DPP4DPP8
SCHEMBL14065664 0.82 METAP2 (0.44) CTSCMETAP2METAP1DPP4DPP8
SCHEMBL6535676 0.81 CTSC (0.43) CTSCMETAP2METAP1DPP4DPP8
SCHEMBL6535678 0.81 CTSC (0.43) CTSCMETAP2METAP1DPP4DPP8
SCHEMBL17100549 0.81 DPP7 (0.50) CTSCDPP4DPP8DPP9DPP7
SCHEMBL13444880 0.81 METAP2 (0.43) CTSCMETAP2METAP1DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412061-B1 2-(N-acyl)amino-6,7-dimethoxy tetralines, process for their preparation and pharmaceutical compositions having antihypertensive activity containing same SIGMA TAU IND FARMACEUTI (IT) 1994-10-05 EP claimed
US-5053424-A 2-(N-ACYL)AMINO-6,7-DIMETHOXY TETRALINES, AND PHARMACEUTICAL COMPOSITIONS HAVING ANTIHYPERTENSIVE ACTIVITY CONTAINING SAME SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1991-10-01 US claimed
EP-3119799-A1 ANTIMICROBIAL COMPOUNDS Biomérieux (FR) 2017-01-25 EP disclosed
WO-2015140481-A1 ANTIMICROBIAL COMPOUNDS bioMérieux (FR) 2015-09-24 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-5053424-A 2-(N-ACYL)AMINO-6,7-DIMETHOXY TETRALINES, AND PHARMACEUTICAL COMPOSITIONS HAVING ANTIHYPERTENSIVE ACTIVITY CONTAINING SAME SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1991-10-01 US disclosed