SCHEMBL746432

SCHEMBL746432

CC(C(C(N)=O)C(c1cncc(-c2ccc(C#N)c(Cl)c2)c1)C1CC1)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 14/20 0.40
CYP11B1 P15538 12/20 0.40
CASP1 P29466 1/20 0.38
SLC22A12 Q96S37 2/20 0.34
GRIA2 P42262 1/20 0.34
NR3C2 P08235 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
SCHEMBL751926 0.84 CYP11B2 (0.43) CYP11B2CYP11B1GRIA2
SCHEMBL3750952 0.83 CYP11B2 (0.45) CYP11B2CYP11B1CASP1SLC22A12
SCHEMBL3477333 0.76 CYP11B2 (0.47) CYP11B2CYP11B1CASP1SLC22A12
SCHEMBL3751450 0.75 CYP11B2 (0.43) CYP11B2CYP11B1CASP1SLC22A12
SCHEMBL3748498 0.74 CYP11B2 (0.51) CYP11B2CYP11B1
SCHEMBL749863 0.74 GRIA2 (0.45) CYP11B2CYP11B1SLC22A12GRIA2
SCHEMBL3755079 0.74 CYP11B2 (0.44) CYP11B2CYP11B1SLC22A12
SCHEMBL765352 0.74 CYP11B2 (0.44) CYP11B2CYP11B1SLC22A12GRIA2
SCHEMBL745295 0.72 CYP11B2 (0.47) CYP11B2CYP11B1GRIA2
SCHEMBL751429 0.72 CYP11B2 (0.47) CYP11B2CYP11B1GRIA2

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
EP-2429995-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-03-21 EP disclosed