SCHEMBL4043853

SCHEMBL4043853

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.37
CTSL P07711 4/20 0.37
CTSS P25774 4/20 0.37
ELANE P08246 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
SCHEMBL4041785 0.93 PREP (0.35) CTSKCTSLCTSS
SCHEMBL4047693 0.92 CTSK (0.40) CTSKCTSLCTSS
SCHEMBL4047540 0.90 CTSK (0.47) CTSKCTSLCTSS
SCHEMBL4050085 0.89 CTSS (0.40) CTSKCTSLCTSS
SCHEMBL4037824 0.88 CTSK (0.36) CTSKCTSLCTSSELANE
SCHEMBL4050717 0.88 CTSK (0.44) CTSKCTSLCTSSELANE
SCHEMBL4049692 0.88 CTSK (0.37) CTSKCTSLCTSSELANE
SCHEMBL4047790 0.87 CTSK (0.36) CTSKCTSLCTSSELANE
SCHEMBL4046569 0.84 CTSK (0.35) CTSKCTSLCTSSELANE
SCHEMBL4040745 0.83 HSD17B10 (0.36) CTSKCTSLCTSSELANE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732917-B8 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2009-09-09 EP disclosed
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
EP-1732917-A1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-12-20 EP disclosed
WO-2005092880-A1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 WO disclosed