SCHEMBL4638371

SCHEMBL4638371

CC(C)CC1c2ccc(N3CC[C@H](NC(=O)OCc4ccccc4)C3=O)c(F)c2CCCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.39
CAPN2 P17655 3/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
PARP1 P09874 1/20 0.37
CTSS P25774 1/20 0.37
PREP P48147 2/20 0.37
CASP1 P29466 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL4638369 0.86 PARP1 (0.38) CTSKPARP1CASP1CA1CA2
SCHEMBL5277557 0.80 CTSK (0.41) CTSKCTSLCTSBCTSSELANE
SCHEMBL4921278 0.75 TMEM97 (0.39) CTSKCTSLCTSBPARP1CTSS
SCHEMBL5242563 0.74 ABCB1 (0.34)
SCHEMBL4638299 0.72 MTNR1B (0.35)
SCHEMBL149797 0.69 CASP3 (0.43) CTSKCTSLCTSBPREPCASP1
SCHEMBL4706101 0.69 ALDH1A1 (0.45) CTSKCTSLCTSBCTSSPREP
SCHEMBL5241781 0.69 MTNR1B (0.36)
SCHEMBL5277552 0.67 CA1 (0.39) CTSKCA1CA2ACHE
SCHEMBL13043801 0.67 CTSK (0.54) CTSKCTSLCTSBPREPCASP1

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-1951712-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-08-06 EP disclosed
WO-2007059952-A2 1-BENZAZEPINE-3-SULFONYLAMINO-2-PYRRLORIDONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2007-05-31 WO disclosed