SCHEMBL2013099

SCHEMBL2013099

CC(C)C[C@H](CN)CC(=O)N[C@@H](C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
CACNA2D1 P54289 2/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
CACNB3 P54284 1/20 0.50
CACNA1C Q13936 1/20 0.50
CRHBP P24387 1/20 0.50
MAPK1 P28482 1/20 0.50
CRHR2 Q13324 1/20 0.50
PGR P06401 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR2B P41595 1/20 0.50
CACNA2D2 Q9NY47 1/20 0.50
GPR139 Q6DWJ6 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP14 P50281 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48

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
SCHEMBL6881780 0.87 MAPT (0.50) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL337989 0.87 MAPT (0.50) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL11931666 0.87 MAPT (0.50) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL337773 0.87 MAPT (0.52) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL13759541 0.87 MAPT (0.52) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL8244522 0.87 MAPT (0.52) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL3773115 0.87 MAPT (0.52) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL8248506 0.87 MAPT (0.52) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL3865686 0.87 MAPT (0.52) MAPTHPGDLMNACRHBPMAPK1
SCHEMBL17298642 0.86 MAPT (0.51) MAPTHPGDLMNACRHBPMAPK1

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
WO-2011071520-A1 PROCESSES FOR THE PREPARATION OF (S)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID DISSYMMETRIX (PVT) LTD. (IN) 2011-06-16 WO disclosed
WO-2011071520-A1 PROCESSES FOR THE PREPARATION OF (S)-3-(AMINOMETHYL)-5-METHYLHEXANOIC ACID DISSYMMETRIX (PVT) LTD. (IN) 2011-06-16 WO disclosed