SCHEMBL8237185

SCHEMBL8237185

COc1cccc(C(=O)Cn2c(=O)c3c(c(N)c(N4CCNCC4)n3CC=C(C)C)n(C)c2=O)c1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.76
KCNH2 Q12809 9/20 0.76
MAPK1 P28482 1/20 0.45

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
SCHEMBL4230730 0.89 DPP4 (0.94) DPP4KCNH2MAPK1
SCHEMBL4229303 0.87 DPP4 (1.00) DPP4KCNH2
Trifluoroacetic Acid SCHEMBL5719515 0.79 DPP4 (0.60) DPP4KCNH2MAPK1
SCHEMBL8237707 0.77 DPP4 (0.76) DPP4KCNH2
SCHEMBL4221514 0.77 DPP4 (1.00) DPP4KCNH2
SCHEMBL4221509 0.77 DPP4 (1.00) DPP4KCNH2
SCHEMBL4220198 0.76 DPP4 (1.00) DPP4KCNH2
SCHEMBL4225076 0.76 DPP4 (0.79) DPP4KCNH2MAPK1
SCHEMBL8236794 0.75 DPP4 (0.80) DPP4KCNH2
Hydrochloric Acid SCHEMBL4226150 0.74 DPP4 (0.79) DPP4KCNH2

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-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed