SCHEMBL4590621

SCHEMBL4590621

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 6/20 0.41
RORC P51449 4/20 0.36
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
RIPK1 Q13546 3/20 0.36
ALDH1A1 P00352 1/20 0.35
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
KCNH2 Q12809 2/20 0.34
CHRM4 P08173 1/20 0.34

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 1.00 AGTR2 (0.41) AGTR2RORCDPP4FAPDPP8
SCHEMBL4574185 0.90 DPP4 (0.37) AGTR2RORCDPP4FAPDPP8
SCHEMBL4590389 0.87 RORC (0.37) RORCDPP4FAPDPP8DPP9
SCHEMBL4573810 0.87 RIPK1 (0.42) RORCDPP4FAPDPP8DPP9
SCHEMBL4574349 0.77 ALDH1A1 (0.48) ALDH1A1
SCHEMBL4574465 0.75 GRIN2D (0.48) RIPK1
SCHEMBL14013950 0.74 NR1H2 (0.45) DPP4RIPK1ALDH1A1CHRM4
SCHEMBL21229957 0.71 PTGDR2 (0.45) RORCRIPK1KCNH2CHRM4
SCHEMBL14013955 0.69 GRIN2D (0.37) DPP4FAPDPP8DPP9DPP7
SCHEMBL5064455 0.69 AGTR2 (0.56) AGTR2ALDH1A1

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