SCHEMBL7646534

SCHEMBL7646534

COC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)Nc1nc(OC)ns1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PEPD P12955 3/20 0.39
XPNPEP1 Q9NQW7 2/20 0.37
F2 P00734 2/20 0.36
F11 P03951 2/20 0.36
TSHR P16473 1/20 0.36
ACE P12821 2/20 0.35
STAT3 P40763 1/20 0.35
XPNPEP2 O43895 1/20 0.35
DPP4 P27487 2/20 0.35
POLB P06746 1/20 0.35
CNR2 P34972 1/20 0.35
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 1/20 0.34
FKBP1A P62942 1/20 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
SCHEMBL7404249 0.92 ACE (0.42) PEPDF2ACEXPNPEP2KMT2A
SCHEMBL7642022 0.89 PEPD (0.39) PEPDXPNPEP1F2F11TSHR
SCHEMBL27554019 0.89 PEPD (0.39) PEPDXPNPEP1F2F11TSHR
SCHEMBL7507813 0.89 PEPD (0.36) PEPDXPNPEP1F2F11TSHR
SCHEMBL27569196 0.88 ACE (0.38) PEPDXPNPEP1F2F11TSHR
SCHEMBL7546728 0.88 ACE (0.38) PEPDXPNPEP1F2F11TSHR
SCHEMBL27556964 0.87 PEPD (0.38) PEPDXPNPEP1F2F11TSHR
SCHEMBL7640465 0.87 PEPD (0.38) PEPDXPNPEP1F2F11TSHR
Tromethamine SCHEMBL8195481 0.86 ACE (0.38) PEPDF2ACEXPNPEP2KMT2A
SCHEMBL8195483 0.84 ACE (0.37) PEPDF2ACEXPNPEP2KMT2A

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 2 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
US-6162791-A Thiadiazole compounds useful as inhibitors of cysteine activity dependent enzymes APOTEX INC. (CA) 2000-12-19 US disclosed