SCHEMBL9942006

SCHEMBL9942006

Nc1cc(C(=O)NC2CCC(C(F)(F)F)CC2)c(N2CC[C@@H](F)C2)nc1N

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 13/20 0.42
DPP4 P27487 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
HPGDS O60760 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.37
CD38 P28907 1/20 0.35

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
SCHEMBL14233866 1.00 PTGES (0.42) PTGESDPP4DPP7HPGDSSCN10A
SCHEMBL9899704 0.94 PTGES (0.41) PTGESDPP4DPP7SCN10ACD38
SCHEMBL9899702 0.94 PTGES (0.41) PTGESDPP4DPP7SCN10ACD38
SCHEMBL16882989 0.94 PTGES (0.41) PTGESDPP4DPP7SCN10ACD38
SCHEMBL14234258 0.88 PTGES (0.42) PTGESDPP4DPP7HPGDS
SCHEMBL9942024 0.88 PTGES (0.42) PTGESDPP4DPP7HPGDS
SCHEMBL14211261 0.88 RAB9A (0.41) DPP4DPP7
SCHEMBL14233420 0.87 PTGES (0.41) PTGESCD38
SCHEMBL9942022 0.87 PTGES (0.41) PTGESCD38
SCHEMBL9941976 0.83 PTGES (0.44) PTGESDPP4DPP7HPGDSSCN10A

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-2012076674-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed