SCHEMBL5231302

SCHEMBL5231302

CC1NCCn2nc(C(F)(F)F)nc21

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
TACR3 P29371 1/20 0.33
LRRK2 Q5S007 2/20 0.32

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
SCHEMBL31569172 0.76 TACR3 (0.39) TACR3
SCHEMBL5225184 0.74 DPP4 (0.39) DPP4DPP7
Hydrochloric Acid SCHEMBL5225207 0.74 DPP4 (0.38) DPP4DPP7
Hydrochloric Acid SCHEMBL5230441 0.73 DPP4 (0.39) DPP4DPP7
Hydrochloric Acid SCHEMBL5231125 0.73 DPP4 (0.41) DPP4DPP7
SCHEMBL13677264 0.72 DPP4 (0.42) DPP4DPP7LRRK2
SCHEMBL13676978 0.69 DPP4 (0.43) DPP4DPP7LRRK2
SCHEMBL5654734 0.68 TACR3 (0.39) DPP4TACR3
SCHEMBL14970399 0.67 DPP4 (0.56) DPP4DPP7TACR3LRRK2
SCHEMBL31409374 0.67 PLAT (0.34) TACR3

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-1554280-B1 ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS MERCK & CO INC (US) 2007-08-15 EP disclosed