SCHEMBL5020541

SCHEMBL5020541

C=N/C=C(\NN)C(C)(C)NS(=O)(=O)N1CCC(Oc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 18/20 0.47
CCR3 P51677 18/20 0.47
KCNH2 Q12809 5/20 0.47
FPR2 P25090 2/20 0.44
PROKR1 Q8TCW9 2/20 0.44

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
SCHEMBL5020188 0.84 MMP13 (0.47) FPR2PROKR1
SCHEMBL8111588 0.78 HRH1 (0.46) HRH1CCR3KCNH2FPR2PROKR1
SCHEMBL4753890 0.71 FPR2 (0.51) HRH1CCR3KCNH2FPR2PROKR1
SCHEMBL20997844 0.71 HRH1 (0.40) HRH1CCR3KCNH2FPR2PROKR1
SCHEMBL5020189 0.70 FPR2 (0.52) HRH1CCR3KCNH2FPR2PROKR1
SCHEMBL8124348 0.67 MMP13 (0.47) FPR2PROKR1
SCHEMBL8096418 0.66 FPR2 (0.46) HRH1CCR3FPR2PROKR1
SCHEMBL5409384 0.66 HRH1 (0.64) HRH1CCR3KCNH2FPR2PROKR1
SCHEMBL5411597 0.66 HRH1 (0.72) HRH1CCR3KCNH2
SCHEMBL5406534 0.66 HRH1 (0.61) HRH1CCR3KCNH2

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-2012064943-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed