SCHEMBL4119170

SCHEMBL4119170

CC(=O)Nc1cccnc1CC(O)C(N)Cc1cc(F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
DPP4 P27487 14/20 0.39
DPP7 Q9UHL4 9/20 0.39
ATM Q13315 1/20 0.38
DPP9 Q86TI2 9/20 0.38
DPP8 Q6V1X1 4/20 0.38
P2RY1 P47900 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL269091 1.00 MAPT (0.39) MAPTDPP4DPP7ATMDPP9
Hydrochloric Acid SCHEMBL270688 0.99 MAPT (0.39) MAPTDPP4DPP7ATMDPP9
SCHEMBL269148 0.82 SCN9A (0.45) MAPTATMP2RY1
SCHEMBL269147 0.82 SCN9A (0.45) MAPTATMP2RY1
SCHEMBL270520 0.79 ALOX5AP (0.40) DPP4DPP7DPP9DPP8CARM1
Hydrochloric Acid SCHEMBL269767 0.79 ALOX5AP (0.39) DPP4DPP7DPP9DPP8CARM1
Hydrochloric Acid SCHEMBL3989995 0.79 ALOX5AP (0.39) DPP4DPP7DPP9DPP8CARM1
SCHEMBL269523 0.73 DPP4 (0.47) DPP4DPP7DPP9DPP8
SCHEMBL267788 0.71 ALOX5AP (0.38) MAPTCARM1PRMT6SMN1; SMN2
SCHEMBL269072 0.71 ALOX5AP (0.40) CARM1PRMT6SMN1; SMN2

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-1912946-B1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS LILLY CO ELI (US) 2009-05-27 EP disclosed