SCHEMBL4045044

SCHEMBL4045044

CC(C)(C)CC(NC(=O)Oc1ccsc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.36
ELANE P08246 1/20 0.34
PREP P48147 2/20 0.33
FAP Q12884 1/20 0.33
AVPR1B P47901 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
SCHEMBL4045553 0.93 CTSK (0.34) CTSKELANEPREPFAPAVPR1B
SCHEMBL4047118 0.93 CTSK (0.41) CTSKELANEPREPFAPAVPR1B
SCHEMBL4046102 0.90 KCNQ1 (0.38) CTSKELANE
SCHEMBL4051046 0.89 CTSV (0.39) CTSKELANEPREPFAPAVPR1B
SCHEMBL4047237 0.88 SMYD3 (0.35) CTSK
SCHEMBL4047790 0.88 CTSK (0.36) CTSKELANEPREPFAP
SCHEMBL4037824 0.88 CTSK (0.36) CTSKELANE
SCHEMBL4051458 0.86 CTSK (0.36) CTSKELANEPREPFAP
SCHEMBL4051200 0.83 CTSK (0.44) CTSK
SCHEMBL4045505 0.83 KCNQ1 (0.38) CTSKPREPFAP

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