SCHEMBL4574550

SCHEMBL4574550

O=C(O)CNCc1cc(F)cc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.42
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CHRM4 P08173 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
PTGER2 P43116 1/20 0.34
ERN1 O75460 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL5481957 0.79 CHRM4 (0.45) RIPK1CES2CES1CHRM4ROCK2
SCHEMBL584220 0.77 FFAR1 (0.47) RIPK1CES2CES1
SCHEMBL869863 0.76 RIPK1 (0.47) RIPK1CES2CES1
SCHEMBL29459925 0.76 RIPK1 (0.47) RIPK1CES2CES1
SCHEMBL4574283 0.75 USP28 (0.40) RIPK1CES2CES1
SCHEMBL29912778 0.75 USP28 (0.40) RIPK1CES2CES1
SCHEMBL29912873 0.74 RIPK1 (0.40) RIPK1CES2CES1CHRM4ROCK2
SCHEMBL12640806 0.74 RIPK1 (0.40) RIPK1CES2CES1CHRM4ROCK2
SCHEMBL29860418 0.74 HTT (0.40) RIPK1CES2CES1
SCHEMBL29788838 0.74 RIPK1 (0.46) RIPK1CES2CES1CHRM4ROCK2

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