SCHEMBL2227853

SCHEMBL2227853

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.43
DPP8 Q6V1X1 7/20 0.43
DPP9 Q86TI2 7/20 0.43
DPP7 Q9UHL4 3/20 0.40
FAP Q12884 2/20 0.40
KIF11 P52732 1/20 0.32
KCNH2 Q12809 1/20 0.32
PITRM1 Q5JRX3 1/20 0.31

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
SCHEMBL3226083 0.72 DPP4 (0.50) DPP4DPP8DPP9DPP7FAP
SCHEMBL4052407 0.72 DPP4 (0.50) DPP4DPP8DPP9DPP7FAP
SCHEMBL26117231 0.68 DPP4 (0.45) DPP4DPP8DPP9DPP7FAP
SCHEMBL26117238 0.68 DPP4 (0.45) DPP4DPP8DPP9DPP7FAP
SCHEMBL1550552 0.67 DPP4 (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL24691265 0.67 DPP4 (0.42) DPP4DPP8DPP9DPP7FAP
SCHEMBL25274712 0.67 DPP4 (0.42) DPP4DPP8DPP9DPP7FAP
SCHEMBL24108846 0.67 DPP4 (0.42) DPP4DPP8DPP9DPP7FAP
SCHEMBL25275132 0.67 DPP4 (0.42) DPP4DPP8DPP9DPP7FAP
SCHEMBL25275131 0.67 DPP4 (0.42) DPP4DPP8DPP9DPP7FAP

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
WO-2011091407-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLP (US) 2011-07-28 WO disclosed