SCHEMBL8717438

SCHEMBL8717438

C[C@@H](c1ccc(C(F)(F)F)cc1)C(N)N1CC[C@H](O)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
DPP7 Q9UHL4 2/20 0.48
DPP8 Q6V1X1 1/20 0.46
TEAD1 P28347 5/20 0.42
HSD11B1 P28845 1/20 0.41
KCNH2 Q12809 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37

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
SCHEMBL8717605 0.85 DPP4 (0.46) DPP4DPP7DPP8HSD11B1KCNH2
SCHEMBL8717613 0.83 DPP4 (0.35) DPP4DPP7DPP8KCNH2
SCHEMBL8716987 0.83 GRIN2B (0.43) DPP4DPP7DPP8KCNH2
SCHEMBL8717426 0.83 DPP4 (0.40) DPP4DPP7DPP8HSD11B1KCNH2
SCHEMBL8719795 0.82 DPP7 (0.43) DPP4DPP7HSD11B1
SCHEMBL6425485 0.82 KCNA3 (0.44) DPP4DPP7
SCHEMBL8720343 0.80 DPP4 (0.45) DPP4DPP7DPP8HSD11B1
SCHEMBL8719950 0.77 HPGD (0.40)
SCHEMBL22459191 0.74
SCHEMBL8716985 0.70 HSD11B1 (0.42) DPP4DPP7DPP8HSD11B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569802-B1 Arylacetamides MERCK PATENT GMBH (DE) 1998-07-15 EP disclosed
EP-0569802-A1 Arylacetamides MERCK PATENT GmbH (DE) 1993-11-18 EP disclosed