SCHEMBL8215708

SCHEMBL8215708

CCn1c(N2CCC[C@@H](N)C2)c(C(N)=O)c2c1c(=O)n(Cc1ncccc1C#N)c(=O)n2C

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.69
KCNH2 Q12809 9/20 0.69
FAP Q12884 1/20 0.47

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
SCHEMBL8213184 0.94 DPP4 (0.69) DPP4KCNH2FAP
SCHEMBL8214505 0.92 DPP4 (0.66) DPP4KCNH2FAP
SCHEMBL12047701 0.92 DPP4 (0.66) DPP4KCNH2
SCHEMBL8217791 0.92 DPP4 (0.66) DPP4KCNH2FAP
SCHEMBL8212924 0.92 DPP4 (0.66) DPP4KCNH2FAP
SCHEMBL8217595 0.92 DPP4 (0.66) DPP4KCNH2FAP
SCHEMBL8214122 0.91 DPP4 (0.66) DPP4KCNH2FAP
SCHEMBL8214182 0.91 DPP4 (0.65) DPP4KCNH2FAP
SCHEMBL8215004 0.91 DPP4 (0.65) DPP4KCNH2FAP
SCHEMBL8217596 0.90 DPP4 (0.71) DPP4KCNH2FAP

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-2008017670-A1 PYRROLO [3, 2 -D] PYRIMIDINES AS DPP-IV INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 WO disclosed