SCHEMBL496394

SCHEMBL496394

CC(C)(C)N(C(=O)O)C1(C(=O)N2CCCC2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD11B1 P28845 9/20 0.37
ALDH1A1 P00352 5/20 0.36
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL20163626 0.79 CHRM3 (0.32)
SCHEMBL2498049 0.75 MEN1 (0.31) MEN1KMT2APOLB
SCHEMBL2496526 0.73
SCHEMBL3910716 0.70 HSD11B1 (0.44) MEN1KMT2AHSD11B1ALDH1A1NPSR1
SCHEMBL1722705 0.70
SCHEMBL2725107 0.68 TSHR (0.31) ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL8879528 0.67
SCHEMBL14910753 0.66
SCHEMBL2873479 0.66 LMNA (0.33) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL343056 0.66 LMNA (0.33) MEN1KMT2AALDH1A1LMNAPOLB

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-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed