SCHEMBL4050085

SCHEMBL4050085

O=C(NC(CC1CCCCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1)Oc1ccoc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.40
CTSL P07711 8/20 0.40
CTSV O60911 2/20 0.40
CTSK P43235 10/20 0.37
USP30 Q70CQ3 1/20 0.36
HTRA1 Q92743 2/20 0.33
F2RL1 P55085 2/20 0.32
F12 P00748 1/20 0.31
GCK P35557 1/20 0.31
CTSB P07858 1/20 0.30

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
SCHEMBL4047616 0.90 CTSL (0.46) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4047693 0.90 CTSK (0.40) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4041785 0.89 PREP (0.35) CTSSCTSLCTSK
SCHEMBL4043853 0.89 CTSK (0.37) CTSSCTSLCTSK
SCHEMBL4041994 0.89 CTSS (0.39) CTSSCTSLCTSVCTSKUSP30
SCHEMBL4041369 0.88 CTSS (0.42) CTSSCTSLCTSVCTSKUSP30
SCHEMBL4043551 0.87 CTSL (0.41) CTSSCTSLCTSVCTSKHTRA1
SCHEMBL4049892 0.84 CTSS (0.37) CTSSCTSLCTSVCTSKUSP30
SCHEMBL4043817 0.84 CTSL (0.39) CTSSCTSLCTSVCTSKHTRA1
SCHEMBL4042622 0.82 CTSS (0.40) CTSSCTSLCTSVCTSKF2RL1

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