SCHEMBL7379872

SCHEMBL7379872

O=C(N[C@H](CCCP(=O)(O)O)CCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.64
CTSL P07711 7/20 0.60
CTSB P07858 6/20 0.57
TACR2 P21452 2/20 0.48
CTSK P43235 2/20 0.47
CTSH P09668 1/20 0.47
CTSC P53634 1/20 0.47

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
SCHEMBL7379870 1.00 CTSS (0.64) CTSSCTSLCTSBTACR2CTSK
SCHEMBL7411037 0.85 CTSS (0.69) CTSSCTSLCTSBCTSKCTSH
SCHEMBL7411039 0.85 CTSS (0.69) CTSSCTSLCTSBCTSKCTSH
SCHEMBL7411052 0.85 CTSS (0.69) CTSSCTSLCTSBCTSKCTSH
Hydrochloric Acid SCHEMBL7405419 0.84 CTSS (0.67) CTSSCTSLCTSBTACR2CTSK
Hydrochloric Acid SCHEMBL7405413 0.84 CTSS (0.67) CTSSCTSLCTSBTACR2CTSK
SCHEMBL7379877 0.81 ACACB (0.42) CTSSCTSLCTSB
SCHEMBL7414175 0.81 CTSL (0.67) CTSSCTSLCTSBCTSKCTSH
SCHEMBL7414172 0.81 CTSL (0.67) CTSSCTSLCTSBCTSKCTSH
SCHEMBL7360250 0.80 CTSL (0.73) CTSSCTSLCTSBCTSKCTSH

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