SCHEMBL14422152

SCHEMBL14422152

Cn1c(=O)c2c(c(C(=O)O)c(N3CCC[C@@H](N)C3)n2Cc2ccccc2Cl)n(C)c1=O

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.61
KCNH2 Q12809 1/20 0.61

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
SCHEMBL3897360 0.92 DPP4 (0.57) DPP4KCNH2
SCHEMBL13647409 0.91 DPP4 (0.60) DPP4KCNH2
Hydrochloric Acid SCHEMBL3896007 0.90 DPP4 (0.61) DPP4KCNH2
SCHEMBL13647411 0.89 DPP4 (0.61) DPP4KCNH2
Trifluoroacetic Acid SCHEMBL4511687 0.86 DPP4 (0.57) DPP4KCNH2
SCHEMBL13647415 0.85 DPP4 (0.59) DPP4KCNH2
SCHEMBL13647351 0.84 DPP4 (0.82) DPP4KCNH2
Trifluoroacetic Acid SCHEMBL3899372 0.84 DPP4 (0.55) DPP4KCNH2
Hydrochloric Acid SCHEMBL3903842 0.84 DPP4 (0.81) DPP4KCNH2
SCHEMBL4511683 0.83 DPP4 (0.53) 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
EP-1829877-A1 BICYCLIC PYRROLE DERIVATIVES Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-05 EP disclosed