SCHEMBL5227451

SCHEMBL5227451

CCCC(F)C(O[SiH](C)C)c1cncn1C(CC(=O)OC)c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
KCNA5 P22460 2/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 1/20 0.34
FNTA P49354 6/20 0.33
FNTB P49356 6/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A3 Q01959 1/20 0.32
IDO1 P14902 2/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL5226182 0.87 FNTA (0.35) HTTCYP11B1CYP11B2MAPTKDM4E
SCHEMBL3568027 0.82 HTT (0.51) HTTCYP11B1CYP11B2KCNA5MAPT
SCHEMBL3571215 0.74 HTT (0.58) HTTCYP11B1CYP11B2KCNA5MAPT
SCHEMBL3571192 0.74 HTT (0.57) HTTCYP11B1CYP11B2KCNA5MAPT
SCHEMBL3568025 0.69 HTT (0.50) HTTCYP11B1CYP11B2KCNA5MAPT
SCHEMBL3578563 0.67 FNTA (0.36) HTTCYP11B1CYP11B2KCNA5MAPT
SCHEMBL22076577 0.61 HTT (0.62) HTTCYP11B1CYP11B2KCNA5MAPT
SCHEMBL29955489 0.61 HTT (0.58) HTTCYP11B1CYP11B2KCNA5MAPT
SCHEMBL388288 0.60 HTT (0.60) HTTCYP11B1CYP11B2KCNA5MAPT
SCHEMBL388289 0.60 HTT (0.60) HTTCYP11B1CYP11B2KCNA5MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537114-B8 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2007-10-03 EP disclosed
EP-1537114-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS Novartis AG (CH) 2005-06-08 EP disclosed
WO-2004014914-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2004-02-19 WO disclosed