SCHEMBL21779834

SCHEMBL21779834

CC(=O)N(C)C1CN(C(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.38
DPP8 Q6V1X1 2/20 0.38
HRH3 Q9Y5N1 5/20 0.34
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
VNN1 O95497 1/20 0.32
KCNH2 Q12809 1/20 0.31
ACHE P22303 1/20 0.30
PIK3CD O00329 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
SCHEMBL12259239 0.85 HRH3 (0.47) DPP4DPP8HRH3VNN1KCNH2
SCHEMBL26885381 0.85 HRH3 (0.47) DPP4DPP8HRH3VNN1KCNH2
SCHEMBL13934309 0.85 HRH3 (0.47) DPP4DPP8HRH3VNN1KCNH2
SCHEMBL26450845 0.82 HRH3 (0.40) DPP4DPP8HRH3VNN1KCNH2
SCHEMBL13212810 0.80 DPP4 (0.43) DPP4DPP8HRH3VNN1KCNH2
SCHEMBL23323871 0.79 HRH3 (0.32) HRH3
SCHEMBL23023309 0.77 HRH3 (0.34) HRH3
SCHEMBL23023301 0.77 HRH3 (0.32) DPP4HRH3DPP9
SCHEMBL20314944 0.77 JAK3 (0.39) HRH3
SCHEMBL25909029 0.76 HRH3 (0.34) HRH3

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-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed