SCHEMBL7546728

SCHEMBL7546728

CCCCOc1nsc(N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)OC)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.38
ACE2 Q9BYF1 2/20 0.38
F2 P00734 2/20 0.37
F11 P03951 2/20 0.37
STAT3 P40763 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PEPD P12955 2/20 0.36
XPNPEP1 Q9NQW7 1/20 0.36
CNR2 P34972 3/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.34
DPP4 P27487 2/20 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
SCHEMBL27569196 1.00 ACE (0.38) ACEACE2F2F11STAT3
SCHEMBL7447829 0.92 ACE (0.46) ACEACE2F2L3MBTL1PEPD
SCHEMBL7646534 0.88 PEPD (0.39) ACEF2F11STAT3RAB9A
SCHEMBL7642022 0.84 PEPD (0.39) ACEF2F11STAT3RAB9A
SCHEMBL27554019 0.84 PEPD (0.39) ACEF2F11STAT3RAB9A
SCHEMBL7640465 0.81 PEPD (0.38) ACEF2F11STAT3RAB9A
SCHEMBL27556964 0.81 PEPD (0.38) ACEF2F11STAT3RAB9A
SCHEMBL7404249 0.81 ACE (0.42) ACEACE2F2RAB9APEPD
SCHEMBL28746793 0.81 CNR2 (0.45) ACENPC1RAB9AL3MBTL1PEPD
SCHEMBL7644398 0.81 CNR2 (0.45) ACENPC1RAB9AL3MBTL1PEPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6468977-B1 COMPOUNDS USEFUL IN TREATMENT TREATMENT OF DISORDER AND/OR DISEASE CAUSED BY ACTIVITY OF ENZYMES SUCH AS HUMAN RHINOVIRUS 3C PROTEASE, TRANSGLUTAMINASE AND CATHEPSINS APOTEX INC. (CA) 2002-10-22 US disclosed
WO-2001090095-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 2001-11-29 WO disclosed
CN-1291993-A Thiadiazole compounds useful as cysteine activity dependent enzyme inhibitors APOTEX INC (CA) 2001-04-18 CN disclosed
US-6162791-A Thiadiazole compounds useful as inhibitors of cysteine activity dependent enzymes APOTEX INC. (CA) 2000-12-19 US disclosed