SCHEMBL15435101

SCHEMBL15435101

COC(=O)CNC(c1cncc(-c2ccc(C#N)c(Cl)c2)c1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.46
CYP11B1 P15538 12/20 0.46
SLC22A12 Q96S37 2/20 0.37
CTSC P53634 1/20 0.36
AKT1 P31749 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35

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
SCHEMBL3477336 0.85 CYP11B2 (0.46) CYP11B2CYP11B1SLC22A12
SCHEMBL3750955 0.84 CYP11B2 (0.47) CYP11B2CYP11B1SLC22A12CTSCAKT1
SCHEMBL3755082 0.84 CYP11B2 (0.44) CYP11B2CYP11B1AKT1
SCHEMBL15435143 0.82 CYP11B2 (0.48) CYP11B2CYP11B1SLC22A12
SCHEMBL3750947 0.82 CYP11B2 (0.46) CYP11B2CYP11B1SLC22A12CTSCAKT1
SCHEMBL3751453 0.82 CYP11B2 (0.43) CYP11B2CYP11B1SLC22A12
SCHEMBL3755079 0.82 CYP11B2 (0.44) CYP11B2CYP11B1SLC22A12CTSCAKT1
SCHEMBL3751446 0.81 CYP11B1 (0.43) CYP11B2CYP11B1SLC22A12CTSCAKT1
SCHEMBL745296 0.80 CYP11B2 (0.47) CYP11B2CYP11B1
SCHEMBL745295 0.80 CYP11B2 (0.47) CYP11B2CYP11B1

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-B1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2014-01-22 EP disclosed