SCHEMBL8216035

SCHEMBL8216035

NC(=NC(=O)OCc1ccccc1)N(CCCC(NC(=O)OCc1ccccc1)C(=O)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.49
SIRT2 Q8IXJ6 2/20 0.43
CTSS P25774 3/20 0.42
TACR1 P25103 2/20 0.41
SIRT1 Q96EB6 1/20 0.41
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
CTSB P07858 2/20 0.41
CTSK P43235 2/20 0.41
CASP1 P29466 1/20 0.40

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
SCHEMBL7355009 0.92 CTSL (0.51) CTSLSIRT2CTSSSIRT1ITGB3
SCHEMBL29398620 0.92 CTSL (0.51) CTSLSIRT2CTSSSIRT1ITGB3
SCHEMBL8203294 0.83 CTSL (0.44) CTSLSIRT2ITGB3ITGA2B
SCHEMBL989683 0.82 CCR6 (0.45)
SCHEMBL6827318 0.80 CTSL (0.39) CTSL
SCHEMBL7303916 0.80 CTSL (0.52) CTSLCTSSTACR1ITGB3ITGA2B
SCHEMBL7359299 0.79 HTT (0.44) CTSL
SCHEMBL7355382 0.79 HTT (0.43)
SCHEMBL29913526 0.79 CTSL (0.53) CTSLSIRT2CTSSTACR1SIRT1
SCHEMBL10908476 0.79 CTSL (0.53) CTSLSIRT2CTSSTACR1SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5916888-A Imidazo 1,5A!pyridine derived serine protease inhibitors AKZO NOBEL, N.V. (NL) 1999-06-29 US claimed
EP-0830371-B1 IMIDAZO(1,5a]PYRIDINE DERIVED SERINE PROTEASE INHIBITORS AKZO NOBEL NV (NL) 2000-12-20 EP disclosed
US-5916888-A Imidazo 1,5A!pyridine derived serine protease inhibitors AKZO NOBEL, N.V. (NL) 1999-06-29 US disclosed
EP-0830371-A1 IMIDAZO 1,5a]PYRIDINE DERIVED SERINE PROTEASE INHIBITORS Akzo Nobel N.V. (NL) 1998-03-25 EP disclosed
WO-1996038470-A1 IMIDAZO[1,5a]PYRIDINE DERIVED SERINE PROTEASE INHIBITORS AKZO NOBEL N.V. (NL) 1996-12-05 WO disclosed