SCHEMBL4255673

SCHEMBL4255673

COC(=O)C1(NC(=O)[C@@H](Br)C(C)C)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.36
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 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
SCHEMBL4255678 1.00 MAPT (0.45) MAPTALDH1A1L3MBTL1NPSR1HTT
SCHEMBL1403840 0.83 PYGL (0.33) ALDH1A1HTT
SCHEMBL1403838 0.83 PYGL (0.33) ALDH1A1HTT
SCHEMBL3365638 0.83 PYGL (0.33) ALDH1A1HTT
SCHEMBL12156594 0.82 MAPT (0.50) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL17208367 0.74 MAPT (0.41) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL12870395 0.72 MAPT (0.46) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL27831272 0.71 MAPT (0.57) MAPTALDH1A1L3MBTL1NPSR1HTT
SCHEMBL12870428 0.71 MAPT (0.49) MAPTALDH1A1L3MBTL1NPSR1CYP4F2
SCHEMBL1838961 0.70 GRM7 (0.43) MAPTALDH1A1L3MBTL1

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
WO-2009135526-A1 ALPHA-MERCAPTO-AMIDES NOVARTIS AG (CH) 2009-11-12 WO disclosed