SCHEMBL6073420

SCHEMBL6073420

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.43
▸ GABBR2 O75899 1/20 0.42
▸ GABBR1 Q9UBS5 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ EPHX1 P07099 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KIF11 P52732 1/20 0.39
▸ SCN4A P35499 2/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GRM2 Q14416 1/20 0.39
▸ GRM3 Q14832 1/20 0.39

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
SCHEMBL14519738 0.82 LMNA (0.49) HSD11B1GABBR2GABBR1MAPT
SCHEMBL20747091 0.79 RIPK1 (0.52) HSD11B1MAPTSMN1; SMN2
SCHEMBL13543299 0.79 RIPK1 (0.52) HSD11B1MAPTSMN1; SMN2
SCHEMBL13543291 0.79 RIPK1 (0.52) HSD11B1MAPTSMN1; SMN2
SCHEMBL13844410 0.79 KDM4E (0.46) GABBR2GABBR1MAPTKMT2ASMN1; SMN2
SCHEMBL636737 0.79 KDM4E (0.46) GABBR2GABBR1MAPTKMT2ASMN1; SMN2
SCHEMBL4142251 0.79 KDM4E (0.46) GABBR2GABBR1MAPTKMT2ASMN1; SMN2
SCHEMBL288753 0.78 GABBR2 (0.59) GABBR2GABBR1KMT2ASMN1; SMN2SCN4A
SCHEMBL59840 0.78 GABBR2 (0.59) GABBR2GABBR1KMT2ASMN1; SMN2SCN4A
SCHEMBL123765 0.78 GABBR2 (0.59) GABBR2GABBR1KMT2ASMN1; SMN2SCN4A

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-2006069798-A1 PROCESS FOR THE PREPARATION OF CHIRAL AMINES DSM IP ASSETS B.V. (NL) 2006-07-06 — — WO disclosed
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