SCHEMBL14656014

SCHEMBL14656014

N[C@@H](C(=O)N1CCCC1)C1CC1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.73
DPP7 Q9UHL4 12/20 0.73
KCNH2 Q12809 4/20 0.54

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
SCHEMBL5477707 0.94 DPP4 (0.69) DPP4DPP7KCNH2
SCHEMBL15203460 0.94 DPP4 (0.69) DPP4DPP7KCNH2
SCHEMBL6358531 0.92 DPP4 (0.65) DPP4DPP7KCNH2
SCHEMBL6360317 0.92 DPP4 (0.65) DPP4DPP7KCNH2
SCHEMBL23655651 0.92 DPP4 (0.67) DPP4DPP7KCNH2
SCHEMBL14392401 0.92 DPP4 (0.67) DPP4DPP7KCNH2
SCHEMBL6820738 0.92 DPP4 (0.67) DPP4DPP7KCNH2
SCHEMBL14392636 0.92 DPP4 (0.67) DPP4DPP7KCNH2
SCHEMBL15203483 0.92 DPP4 (0.67) DPP4DPP7KCNH2
SCHEMBL6358530 0.89 DPP4 (0.61) DPP4DPP7KCNH2

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
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