SCHEMBL7717481

SCHEMBL7717481

CC(C)[Si](OC(=O)N(CCc1cncn1Cc1ccc(C#N)c(F)c1)[C@H]1CCNC1)(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
MBTPS1 Q14703 3/20 0.36
KCNH2 Q12809 1/20 0.35
FNTA P49354 4/20 0.34
FNTB P49356 4/20 0.34
PDPK1 O15530 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
PGGT1B P53609 1/20 0.33
CACNA1H O95180 1/20 0.33
KDM1A O60341 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
SCHEMBL7715398 1.00 CYP11B1 (0.38) CYP11B1CYP11B2MBTPS1KCNH2FNTA
SCHEMBL7709318 0.83 GPR119 (0.44) KCNH2FNTAFNTBPGGT1BCACNA1H
SCHEMBL7709319 0.83 GPR119 (0.44) KCNH2FNTAFNTBPGGT1BCACNA1H
SCHEMBL7721388 0.78 FNTA (0.44) KCNH2FNTAFNTBPGGT1B
SCHEMBL7721386 0.78 FNTA (0.44) KCNH2FNTAFNTBPGGT1B
SCHEMBL7714120 0.71 CYP11B1 (0.52) CYP11B1CYP11B2FNTAFNTBPDPK1
SCHEMBL7713236 0.70 CYP11B1 (0.70) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7971164 0.69 CYP11B1 (0.52) CYP11B1CYP11B2CACNA1H
SCHEMBL7709344 0.69 CYP11B1 (0.51) CYP11B1CYP11B2CACNA1H
SCHEMBL7163804 0.68 CYP11B1 (0.46) CYP11B1CYP11B2KCNH2FNTAFNTB

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
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed