SCHEMBL4041003

SCHEMBL4041003

O=C(NC(Cc1ccc(O)cc1)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 18/20 0.39
CTSS P25774 17/20 0.39
CTSK P43235 17/20 0.39
CTSB P07858 4/20 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
SCHEMBL4051296 0.92 CTSL (0.39) CTSLCTSSCTSKCTSBCTSV
SCHEMBL4044539 0.90 ITGA4 (0.36) CTSLCTSSCTSKCTSB
SCHEMBL4044814 0.90 FNTA (0.35) CTSK
SCHEMBL4042621 0.88 CTSK (0.45) CTSLCTSSCTSKCTSBCTSV
SCHEMBL4042234 0.88 ELOVL6 (0.39) CTSLCTSSCTSKCTSBCTSV
SCHEMBL4044768 0.87 CTSL (0.44) CTSLCTSSCTSKCTSBCTSV
SCHEMBL4046868 0.87 ITGB1 (0.37) CTSSCTSKCTSB
SCHEMBL4044198 0.86 CTSL (0.42) CTSLCTSSCTSKCTSBCTSV
SCHEMBL4046036 0.86 P2RX7 (0.36) CTSK
SCHEMBL4043883 0.85 CTSK (0.42) CTSLCTSSCTSK

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