SCHEMBL7714943

SCHEMBL7714943

CC(c1ccc(C#N)c(F)c1)n1cncc1C(O[SiH](C)C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.38
CYP11B2 P19099 12/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
SLC22A12 Q96S37 1/20 0.33
TRPA1 O75762 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
SCHEMBL6928401 0.79 TRPV4 (0.39) CYP11B1CYP11B2TRPA1
SCHEMBL3578563 0.72 FNTA (0.36) CYP11B1CYP11B2FNTAFNTBSLC22A12
SCHEMBL7714185 0.72 CYP11B1 (0.44) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7936017 0.72 CYP11B1 (0.41) CYP11B1CYP11B2
SCHEMBL7714940 0.72 CYP11B1 (0.38) CYP11B1CYP11B2FNTAFNTBSLC22A12
SCHEMBL1097391 0.71 KCNA5 (0.31)
SCHEMBL3568027 0.69 HTT (0.51) CYP11B1CYP11B2FNTAFNTB
SCHEMBL1097298 0.67 CYP19A1 (0.41) CYP11B1CYP11B2
SCHEMBL5094163 0.66 FNTA (0.47) CYP11B1CYP11B2FNTAFNTB
SCHEMBL7183607 0.66 FNTA (0.47) CYP11B1CYP11B2FNTAFNTB

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
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed