SCHEMBL4051296

SCHEMBL4051296

O=C(NC(Cc1cccc(O)c1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 19/20 0.39
CTSS P25774 18/20 0.39
CTSB P07858 4/20 0.39
CTSK P43235 19/20 0.39
CTSV O60911 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
SCHEMBL4041003 0.92 CTSL (0.39) CTSLCTSSCTSBCTSKCTSV
SCHEMBL4046932 0.90 GPR132 (0.35) CTSLCTSSCTSBCTSK
SCHEMBL4043350 0.90 HTRA1 (0.35) CTSLCTSSCTSBCTSK
SCHEMBL4047882 0.88 F2 (0.36) CTSSCTSBCTSK
SCHEMBL4042621 0.86 CTSK (0.45) CTSLCTSSCTSBCTSKCTSV
SCHEMBL4043833 0.86 F10 (0.36) CTSK
SCHEMBL4045030 0.86 CTSK (0.41) CTSLCTSSCTSK
SCHEMBL4044160 0.86 CTSB (0.37) CTSSCTSBCTSK
SCHEMBL4042234 0.86 ELOVL6 (0.39) CTSLCTSSCTSBCTSKCTSV
SCHEMBL4047214 0.85 CTSK (0.33) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed