SCHEMBL8237497

SCHEMBL8237497

Cn1c(=O)c2c(c(N)c(N3CCC[C@H](N)C3)n2Cc2ccccc2)n(C)c1=O

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.76
KCNH2 Q12809 4/20 0.76
ALDH1A1 P00352 2/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL4235984 0.87 DPP4 (0.72) DPP4KCNH2ALDH1A1TSHRLMNA
SCHEMBL8237509 0.87 DPP4 (0.72) DPP4KCNH2ALDH1A1TSHRLMNA
SCHEMBL4229687 0.86 DPP4 (1.00) DPP4KCNH2
SCHEMBL4229682 0.86 DPP4 (1.00) DPP4KCNH2
SCHEMBL8230451 0.81 DPP4 (0.62) DPP4KCNH2ALDH1A1TSHRLMNA
SCHEMBL4669794 0.80 DPP4 (1.00) DPP4KCNH2ALDH1A1TSHRLMNA
SCHEMBL554515 0.80 DPP4 (1.00) DPP4KCNH2ALDH1A1TSHRLMNA
SCHEMBL8236527 0.80 DPP4 (0.65) DPP4KCNH2
SCHEMBL13647411 0.79 DPP4 (0.61) DPP4KCNH2
SCHEMBL14422152 0.79 DPP4 (0.61) 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