SCHEMBL4043350

SCHEMBL4043350

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 6/20 0.35
MC4R P32245 1/20 0.34
MC3R P41968 1/20 0.34
MC1R Q01726 1/20 0.34
CTSK P43235 3/20 0.33
PSMB5 P28074 1/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSS P25774 2/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
HPGDS O60760 1/20 0.32
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL4044814 0.93 FNTA (0.35) MC4RMC3RMC1RCTSKPSMB5
SCHEMBL6213366 0.91 CTSK (0.42) HTRA1MC4RMC3RMC1RCTSK
SCHEMBL4051296 0.90 CTSL (0.39) CTSKCTSLCTSBCTSS
SCHEMBL4045924 0.89 USP30 (0.40) HTRA1MC4RMC3RMC1RITGA4
SCHEMBL4040539 0.89 MC4R (0.41) HTRA1MC4RMC3RMC1RCTSK
SCHEMBL4045030 0.89 CTSK (0.41) HTRA1MC4RMC3RMC1RCTSK
SCHEMBL4045597 0.88 ACE (0.36) MC4RMC3RMC1RCTSKCTSL
SCHEMBL4046932 0.88 GPR132 (0.35) HTRA1CTSKCTSLCTSBCTSS
SCHEMBL4045521 0.87 CTSK (0.43) CTSKCTSLCTSBCTSS
SCHEMBL4052303 0.86 CTSK (0.35) MC4RMC3RMC1RCTSK

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