SCHEMBL9358253

SCHEMBL9358253

CC(C)C(=O)N1CCCN1C(=O)O[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.44
CTSL P07711 1/20 0.44
CTSK P43235 1/20 0.44
PREP P48147 3/20 0.41
ACE2 Q9BYF1 3/20 0.40
CTRB1 P17538 1/20 0.39
CHRM1 P11229 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9358248 1.00 CTSB (0.44) CTSBCTSLCTSKPREPACE2
SCHEMBL9355074 0.98 CTSB (0.47) CTSBCTSLCTSKPREPACE2
SCHEMBL9355082 0.98 CTSB (0.47) CTSBCTSLCTSKPREPACE2
SCHEMBL9355110 0.88 ALDH1A1 (0.42) CTSBCTSLCTSKPREPACE2
SCHEMBL9355116 0.88 ALDH1A1 (0.42) CTSBCTSLCTSKPREPACE2
SCHEMBL9354210 0.88 CTSB (0.46) CTSBCTSLCTSKPREPACE2
SCHEMBL9354208 0.88 CTSB (0.46) CTSBCTSLCTSKPREPACE2
SCHEMBL9354432 0.86 CTSL (0.43) CTSBCTSLCTSKPREPACE2
SCHEMBL9354436 0.86 CTSL (0.43) CTSBCTSLCTSKPREPACE2
SCHEMBL9358750 0.86 ACE (0.45) CTSBCTSLCTSKPPARGPPARA

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-0300189-B1 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-11-02 EP disclosed
US-5223489-A Treatment of ypertension and heart failure UJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-29 US disclosed
US-5142048-A Enzyme inhibitor; carbamoyl group-containing acids FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 US disclosed
US-4921855-A New Histidyl amino acid derivatives, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-01 US disclosed
EP-0300189-A2 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 EP disclosed