SCHEMBL7400387

SCHEMBL7400387

N[C@@H](Cc1ccc(C(=O)C2CNCCO2)cc1)C(=O)N[C@H](C=Cc1ccc(Cl)s1)CCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.38
CTSB P07858 2/20 0.36
CTSK P43235 2/20 0.36
CTSH P09668 1/20 0.36
CTSS P25774 1/20 0.36
CTSC P53634 1/20 0.36
GHSR Q92847 1/20 0.33

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
SCHEMBL7350474 0.86 CTSL (0.44) CTSLCTSBCTSKCTSHCTSS
SCHEMBL7354041 0.85 CTSL (0.43) CTSLCTSBCTSKCTSHCTSS
SCHEMBL7352317 0.83 CTSB (0.48) CTSLCTSBCTSKCTSHCTSS
SCHEMBL7349455 0.83 CTSB (0.56) CTSLCTSBCTSKCTSHCTSS
SCHEMBL7355598 0.83 CTSB (0.56) CTSLCTSBCTSKCTSHCTSS
SCHEMBL8516594 0.82 CTSL (0.41) CTSLCTSBCTSKCTSHCTSS
SCHEMBL7360267 0.82 CTSL (0.40) CTSLCTSBCTSKCTSHCTSS
SCHEMBL7399926 0.82 CTSL (0.43) CTSLCTSBCTSKCTSHCTSS
SCHEMBL7400381 0.81 CTSL (0.50) CTSLCTSBCTSKCTSHCTSS
SCHEMBL7401402 0.80 CTSL (0.36) CTSLCTSBCTSKCTSHCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995023222-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS KHEPRI PHARMACEUTICALS, INC. (US) 1995-08-31 WO claimed