SCHEMBL4039641

SCHEMBL4039641

CCCC(NC(=O)Oc1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.34
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
P2RY12 Q9H244 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
SCHEMBL4047432 0.95 ALDH1A1 (0.35) CTSKPREPFAP
SCHEMBL4051191 0.90 CTSK (0.37) CTSK
SCHEMBL6241646 0.89 CTSK (0.37) CTSKPREPFAP
SCHEMBL4052303 0.89 CTSK (0.35) CTSKPREPFAPP2RY12
SCHEMBL4045685 0.88 PREP (0.34) CTSKPREPFAP
SCHEMBL4049326 0.88 CTSK (0.42) CTSKPREPFAPP2RY12
SCHEMBL4044808 0.88 CTSK (0.36) CTSKPREPFAP
SCHEMBL4043203 0.88 CTSK (0.35) CTSKPREPFAPP2RY12
SCHEMBL4044090 0.88 CTSK (0.34) CTSKPREPFAP
SCHEMBL4045577 0.87 CTSK (0.41) 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