SCHEMBL7414186

SCHEMBL7414186

N[C@H](CC(CCc1ccccc1)C(=O)[C@@H](N)Cc1ccc(C(=O)C2CNCCO2)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSC P53634 5/20 0.33
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA12 O43570 1/20 0.31
SSTR4 P31391 1/20 0.31
GHSR Q92847 1/20 0.31
CA4 P22748 2/20 0.30
CA9 Q16790 2/20 0.30
CTSB P07858 1/20 0.30
CTSH P09668 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL27380018 0.88 SLC1A1 (0.41) CTSCSSTR4
SCHEMBL7411955 0.88 SLC1A1 (0.41) CTSCSSTR4
SCHEMBL7414221 0.83 CA2 (0.38) CTSCCA1CA2CA12SSTR4
SCHEMBL8696045 0.83 CA2 (0.38) CTSCCA1CA2CA12SSTR4
SCHEMBL8159878 0.82 CTSC (0.36) CTSCCA1CA2CA12SSTR4
SCHEMBL8691331 0.81
SCHEMBL8691960 0.80 CTSC (0.33) CTSCSSTR4GHSR
SCHEMBL7397874 0.78 CTSC (0.32) CTSCSSTR4GHSRCTSBCTSH
SCHEMBL7356049 0.78 CTSC (0.34) CTSCSSTR4GHSR
SCHEMBL7349455 0.77 CTSB (0.56) CTSCCTSBCTSHCTSSCTSK

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