SCHEMBL3226083

SCHEMBL3226083

CC(C)(C)[C@H](N)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.50
DPP8 Q6V1X1 10/20 0.50
DPP9 Q86TI2 10/20 0.50
FAP Q12884 5/20 0.44
DPP7 Q9UHL4 5/20 0.44
KIF11 P52732 1/20 0.34
KCNH2 Q12809 1/20 0.34
PITRM1 Q5JRX3 1/20 0.33

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
SCHEMBL4052407 1.00 DPP4 (0.50) DPP4DPP8DPP9FAPDPP7
SCHEMBL1930866 0.81 DPP4 (0.46) DPP4DPP8DPP9FAPDPP7
SCHEMBL12552885 0.81 DPP4 (0.46) DPP4DPP8DPP9FAPDPP7
SCHEMBL21963795 0.77 PIK3CD (0.46) DPP4DPP8DPP9
SCHEMBL21963809 0.77 PIK3CD (0.46) DPP4DPP8DPP9
SCHEMBL5036242 0.75 ATM (0.32)
SCHEMBL14421482 0.72 DPP4 (0.49) DPP4DPP8DPP9FAPDPP7
SCHEMBL8353687 0.72 DPP4 (0.49) DPP4DPP8DPP9FAPDPP7
SCHEMBL2227853 0.72 DPP4 (0.43) DPP4DPP8DPP9FAPDPP7
SCHEMBL25278211 0.71 DPP4 (0.51) DPP4DPP8DPP9FAPDPP7

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 5 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
WO-2010011912-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed
WO-2009146182-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-03 WO disclosed