SCHEMBL4047239

SCHEMBL4047239

O=C(NC(Cc1ccc(O)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-])Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.34
P2RX7 Q99572 6/20 0.34
ACE P12821 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
OPRM1 P35372 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL4045552 0.94 ITGB3 (0.37) CTSKP2RX7
SCHEMBL4047305 0.94 P2RX7 (0.37) CTSKP2RX7
SCHEMBL4047214 0.93 CTSK (0.33) CTSKP2RX7OPRM1
SCHEMBL4046036 0.90 P2RX7 (0.36) CTSKP2RX7ACE
SCHEMBL6234334 0.90 CTSK (0.44) CTSKACEACE2
SCHEMBL4047763 0.89 CTSK (0.44) CTSK
SCHEMBL4041133 0.88 CTSK (0.36) CTSK
SCHEMBL4045610 0.88 POLB (0.33) CTSKACEACE2OPRM1
SCHEMBL4041003 0.84 CTSL (0.39) CTSK
SCHEMBL4042222 0.84 CNR1 (0.34) 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