SCHEMBL8516640

SCHEMBL8516640

N[C@@H](Cc1ccc(C(=O)N2CCOCC2)cc1)C(=O)NC(C=CS(=O)(=O)c1ccc(Br)cc1)CCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.64
CTSB P07858 6/20 0.64
CTSK P43235 4/20 0.57
CTSS P25774 3/20 0.57
CTSH P09668 2/20 0.57
CTSC P53634 2/20 0.57

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
SCHEMBL7354651 0.84 CTSL (0.89) CTSLCTSBCTSKCTSSCTSH
SCHEMBL8516637 0.84 CTSL (0.89) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7354657 0.84 CTSL (0.89) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7354646 0.84 CTSL (0.89) CTSLCTSBCTSKCTSSCTSH
SCHEMBL8516639 0.84 CTSL (0.89) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7354030 0.84 CTSL (0.59) CTSLCTSBCTSKCTSSCTSH
SCHEMBL8516641 0.80 CTSB (0.51) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7354660 0.80 CTSB (0.51) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7595864 0.80 CTSB (0.49) CTSLCTSBCTSKCTSSCTSH
SCHEMBL7414219 0.80 CTSB (0.49) CTSLCTSBCTSKCTSSCTSH

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
EP-0756625-A4 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARM CORP (US) 1999-07-28 EP disclosed
EP-0756625-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARMACEUTICAL CORPORATION (US) 1997-02-05 EP disclosed