SCHEMBL7593794

SCHEMBL7593794

O=C(NC(CCc1ccccc1)C(=O)C1=N[C@@H](c2ccccc2)CO1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.46
CASP1 P29466 4/20 0.44
PRSS8 Q16651 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
TPSAB1 Q15661 1/20 0.43
KDM1A O60341 6/20 0.43
MAOA P21397 4/20 0.43
RCOR1 Q9UKL0 3/20 0.43
KDM1B Q8NB78 1/20 0.43
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL6466342 0.91 CTSL (0.54) CTSLCTSBCTSS
SCHEMBL6466343 0.91 CTSL (0.54) CTSLCTSBCTSS
SCHEMBL6531737 0.80 CTSL (0.43) CTSLCTSBCTSS
SCHEMBL6061622 0.78 CTSL (0.54) CTSLCTSBCTSS
SCHEMBL6468739 0.78 CTSL (0.54) CTSLCTSBCTSS
SCHEMBL1701581 0.75 CTSL (0.65) CTSLCASP1CTSBCTSS
SCHEMBL1796250 0.75 CTSL (0.65) CTSLCASP1CTSBCTSS
SCHEMBL2487005 0.75 CTSL (0.65) CTSLCASP1CTSBCTSS
SCHEMBL6467377 0.72 CTSL (0.54) CTSLCTSBCTSS
SCHEMBL6139194 0.71 CTSL (0.61) CTSLCASP1CTSBCTSS

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-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed