SCHEMBL24521597

SCHEMBL24521597

CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)NCc1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
KCNA5 P22460 1/20 0.42
SCN9A Q15858 8/20 0.42
TGM2 P21980 1/20 0.42
CYP3A4 P08684 3/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 2/20 0.39
PPARG P37231 2/20 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
SCHEMBL29052300 0.87 CA1 (0.52) LMNAPOLBCA1CA2SCN9A
SCHEMBL24528572 0.87 CA1 (0.52) LMNAPOLBCA1CA2SCN9A
SCHEMBL24521509 0.81 MMP2 (0.51) MEN1KMT2AEPHX2PPARG
SCHEMBL27150973 0.81 MMP2 (0.51) MEN1KMT2AEPHX2PPARG
SCHEMBL24521598 0.81 CYP3A4 (0.58) LMNAPOLBCA1CA2CYP3A4
SCHEMBL20380317 0.81 LMNA (0.59) LMNAPOLBKCNA5EPHX2PPARG
SCHEMBL2931394 0.79 MEN1 (0.52) CA1CA2CYP3A4MEN1GAA
SCHEMBL3800689 0.78 ANPEP (0.50) CA1CA2CYP3A4MEN1GAA
SCHEMBL3800686 0.78 ANPEP (0.50) CA1CA2CYP3A4MEN1GAA
SCHEMBL4708018 0.78 LMNA (0.53) LMNAPOLBKCNA5SCN9AMEN1

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
EP-4015501-A1 N-BENZYL-ALPHA-AMINOAMIDES AS ANAPHASE-PROMOTING COMPLEX/CYCLOSOME (APC/C) INHIBITORS Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2022-06-22 EP disclosed