SCHEMBL14655433

SCHEMBL14655433

CC(C)(C)[C@@H](N)C(=O)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.49
DPP7 Q9UHL4 7/20 0.49
DPP8 Q6V1X1 5/20 0.49
DPP9 Q86TI2 5/20 0.49
FAP Q12884 1/20 0.49
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL8351360 1.00 DPP4 (0.49) DPP4DPP7DPP8DPP9FAP
SCHEMBL4125726 1.00 DPP4 (0.49) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL2377064 0.98 DPP4 (0.47) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL2377058 0.98 DPP4 (0.47) DPP4DPP7DPP8DPP9FAP
SCHEMBL6316252 0.98 DPP4 (0.47) DPP4DPP7DPP8DPP9FAP
SCHEMBL14655634 0.98 DPP4 (0.47) DPP4DPP7DPP8DPP9FAP
SCHEMBL342909 0.96 DPP4 (0.49) DPP4DPP7DPP8DPP9FAP
SCHEMBL342908 0.96 DPP4 (0.49) DPP4DPP7DPP8DPP9FAP
SCHEMBL23421170 0.83 DPP4 (0.45) DPP4DPP7DPP8DPP9FAP
SCHEMBL10296210 0.83 DPP4 (0.46) DPP4DPP7DPP8DPP9FAP

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
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US claimed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP claimed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
EP-2550273-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2013-01-30 EP disclosed