SCHEMBL7414219

SCHEMBL7414219

N[C@@H](Cc1ccc(C(=O)N2CCOCC2)cc1)C(=O)N[C@@H](CCc1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 5/20 0.49
CTSL P07711 5/20 0.49
ACACB O00763 1/20 0.44
CTSS P25774 3/20 0.44
CTSK P43235 3/20 0.44
CTSH P09668 1/20 0.44
CTSC P53634 1/20 0.44
MASP2 O00187 1/20 0.44
F2 P00734 1/20 0.44
GAA P10253 1/20 0.43
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 5/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7595864 1.00 CTSB (0.49) CTSBCTSLACACBCTSSCTSK
SCHEMBL8159873 0.90 CTSB (0.48) CTSBCTSLACACBCTSSCTSK
SCHEMBL7411045 0.82 ACACB (0.46) CTSBCTSLACACBCTSSMASP2
SCHEMBL7414213 0.81 CTSL (0.70) CTSBCTSLCTSSCTSKCTSH
SCHEMBL8696034 0.81 CTSL (0.70) CTSBCTSLCTSSCTSKCTSH
SCHEMBL7414216 0.81 CTSL (0.70) CTSBCTSLCTSSCTSKCTSH
SCHEMBL8696030 0.81 CTSL (0.70) CTSBCTSLCTSSCTSKCTSH
SCHEMBL7354030 0.80 CTSL (0.59) CTSBCTSLACACBCTSSCTSK
SCHEMBL7410501 0.80 ACACB (0.46) CTSBCTSLACACBGAAHSD11B1
SCHEMBL8516640 0.80 CTSL (0.64) CTSBCTSLCTSSCTSKCTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US disclosed
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP disclosed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO disclosed