SCHEMBL7451908

SCHEMBL7451908

NN1C[C@@H](C(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.53
CTSK P43235 8/20 0.52
CTSS P25774 7/20 0.52
CTSB P07858 7/20 0.52
TACR1 P25103 2/20 0.51
KDM1A O60341 5/20 0.50
MAOA P21397 3/20 0.50
RCOR1 Q9UKL0 3/20 0.50
KDM1B Q8NB78 1/20 0.50

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
SCHEMBL7448513 1.00 CTSL (0.53) CTSLCTSKCTSSCTSBTACR1
SCHEMBL5257373 0.84 CTSB (0.54) CTSLCTSKCTSSCTSBTACR1
SCHEMBL7449390 0.78 CTSK (0.56) CTSLCTSKCTSSCTSBTACR1
SCHEMBL7444607 0.78 CTSK (0.54) CTSLCTSKCTSSCTSBTACR1
SCHEMBL11285648 0.77 CHRM2 (0.48)
SCHEMBL11285653 0.77 CHRM2 (0.48)
SCHEMBL7441597 0.76 CTSK (0.54) CTSLCTSKCTSSCTSBTACR1
SCHEMBL7441742 0.76 CTSK (0.54) CTSLCTSKCTSSCTSBTACR1
SCHEMBL7443686 0.76 CTSK (0.54) CTSLCTSKCTSSCTSBTACR1
SCHEMBL8089807 0.76 CTSK (0.54) CTSLCTSKCTSSCTSBTACR1

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
EP-0817795-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES INC. (CA) 1998-01-14 EP claimed
WO-1996032408-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES, INC. (US) 1996-10-17 WO claimed
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US disclosed