SCHEMBL7407388

SCHEMBL7407388

COc1ccc(COC(=O)N2CC[C@@H]3NC(=O)[C@@H](C)[C@H]32)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.43
GRIN2B Q13224 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
F2 P00734 1/20 0.41
CTSG P08311 1/20 0.41

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
SCHEMBL7459291 0.88 ELANE (0.54) ELANEF2CTSG
SCHEMBL7406322 0.88 ELANE (0.54) ELANEF2CTSG
SCHEMBL7459299 0.88 ELANE (0.54) ELANEF2CTSG
SCHEMBL7404559 0.78 PREP (0.58) NPSR1
SCHEMBL6624127 0.77 ELANE (0.50) ELANEF2CTSG
SCHEMBL6618027 0.75 ELANE (0.50) ELANEF2CTSG
SCHEMBL7498102 0.75 ELANE (0.50) ELANEF2CTSG
SCHEMBL6618550 0.75 ELANE (0.54) ELANEF2CTSG
SCHEMBL7875386 0.74 NPSR1 (0.53) GRIN2BNPSR1
SCHEMBL6621333 0.74 ELANE (0.49) ELANEF2CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015454-A1 METHOD OF INHIBITING SERINE PROTEASE ENZYMES GLAXO GROUP LIMITED (GB) 2000-07-05 EP disclosed
EP-0973775-A1 PYROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-01-26 EP disclosed
WO-1999012932-A1 METHOD OF INHIBITING SERINE PROTEASE ENZYMES GLAXO GROUP LIMITED (GB) 1999-03-18 WO disclosed
WO-1998043975-A1 PYROLOPYRROLONE DERIVATIVES GLAXO GROUP LIMITED (GB) 1998-10-08 WO disclosed