SCHEMBL2949460

SCHEMBL2949460

CC(C)(C)OC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.56
WDR77 Q9BQA1 1/20 0.56
AAK1 Q2M2I8 3/20 0.42
DGAT1 O75907 1/20 0.42
USP30 Q70CQ3 2/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
PDGFRB P09619 2/20 0.36
KDR P35968 2/20 0.36
MAPKAPK2 P49137 1/20 0.35
NAMPT P43490 1/20 0.34
FFAR1 O14842 1/20 0.34
KDM4A O75164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL3027524 0.84 PDGFRB (0.41) PRMT5WDR77AAK1DGAT1GSK3A
SCHEMBL24619391 0.83 PRMT5 (0.53) PRMT5WDR77AAK1DGAT1USP30
SCHEMBL27230489 0.83 PTPN1 (0.42) PRMT5WDR77AAK1DGAT1USP30
SCHEMBL27207979 0.83 PTPN1 (0.42) PRMT5WDR77AAK1DGAT1USP30
SCHEMBL30987831 0.82 AAK1 (0.41) PRMT5WDR77AAK1DGAT1USP30
SCHEMBL18591338 0.82 PRMT5 (0.53) PRMT5WDR77AAK1DGAT1USP30
SCHEMBL1290158 0.80 PRMT5 (0.57) PRMT5WDR77AAK1DGAT1USP30
SCHEMBL17379073 0.80 PRMT5 (0.50) PRMT5WDR77AAK1DGAT1USP30
SCHEMBL3417194 0.79 PRMT5 (0.49) PRMT5WDR77AAK1DGAT1USP30
SCHEMBL30117289 0.79 PRMT5 (0.56) PRMT5WDR77AAK1DGAT1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396301-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS Jerini AG (DE) 2011-12-21 EP disclosed
WO-2010091876-A2 SMALL MOLECULE BRADYKININ B1 RECEPTOR ANTAGONISTS JERINI AG (DE) 2010-08-19 WO disclosed