SCHEMBL3229202

SCHEMBL3229202

CC(C)(C)[C@H](NC(=O)O)C(=O)N1C[C@@H]2C[C@H]1CN2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.47
CHRNA4 P43681 5/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNB3 Q05901 1/20 0.47
CHRNA6 Q15825 1/20 0.47
KDM1A O60341 2/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HSD11B1 P28845 1/20 0.33
VHL P40337 2/20 0.32
ELOC Q15369 2/20 0.32
ELOB Q15370 2/20 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
SCHEMBL7934107 0.79 CASP1 (0.44)
SCHEMBL12414501 0.76 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL19869622 0.76 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL12449187 0.76 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL8002379 0.75 GAA (0.40) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL13050999 0.73 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL1008896 0.73 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL4408215 0.73 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL4697419 0.73 CHRNB2 (0.54) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL4056919 0.73 ELANE (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2312947-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2014-01-01 EP disclosed
US-8450484-B2 TRPV4 antagonists GlaxoSmithKline, LLC (US) 2013-05-28 US disclosed
WO-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed