SCHEMBL4574185

SCHEMBL4574185

NC(=O)[C@@H]1CN(Cc2cc(F)cc(F)c2F)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
RORC P51449 5/20 0.35
MAP4K4 O95819 1/20 0.35
RIPK1 Q13546 3/20 0.34
ALDH1A1 P00352 1/20 0.34
KCNH2 Q12809 2/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
CHRM4 P08173 1/20 0.33
AGTR2 P50052 1/20 0.33

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
SCHEMBL4596716 0.90 AGTR2 (0.41) DPP4DPP7FAPDPP8DPP9
SCHEMBL4590621 0.90 AGTR2 (0.41) DPP4DPP7FAPDPP8DPP9
SCHEMBL4590389 0.85 RORC (0.37) DPP4DPP7FAPDPP8DPP9
SCHEMBL4573810 0.85 RIPK1 (0.42) DPP4DPP7FAPDPP8DPP9
SCHEMBL4574349 0.75 ALDH1A1 (0.48) ALDH1A1
SCHEMBL14013955 0.75 GRIN2D (0.37) DPP4DPP7FAPDPP8DPP9
SCHEMBL27030606 0.75 ALDH1A1 (0.48) MAP4K4RIPK1ALDH1A1
SCHEMBL29586935 0.73 SCN3A (0.49) RIPK1
SCHEMBL14013950 0.72 NR1H2 (0.45) DPP4RIPK1ALDH1A1CHRM4
SCHEMBL21229957 0.71 PTGDR2 (0.45) RORCRIPK1KCNH2CHRM4

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-2008134035-A1 ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed