SCHEMBL24521573

SCHEMBL24521573

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.60
CTSK P43235 9/20 0.60
CTSB P07858 4/20 0.54
CTSL P07711 3/20 0.54
SCN9A Q15858 1/20 0.49
HTRA1 Q92743 1/20 0.49
AKT1 P31749 1/20 0.48
PSMB1 P20618 1/20 0.46
PSMB8 P28062 1/20 0.46
PSMB9 P28065 1/20 0.46
PSMB5 P28074 1/20 0.46
PSMB10 P40306 1/20 0.46
PSMB2 P49721 1/20 0.46

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
SCHEMBL29052547 1.00 CTSS (0.60) CTSSCTSKCTSBCTSLSCN9A
SCHEMBL29052278 0.89 CTSS (0.66) CTSSCTSKCTSBCTSLAKT1
SCHEMBL24521571 0.89 CTSS (0.66) CTSSCTSKCTSBCTSLAKT1
SCHEMBL24521561 0.89 CTSS (0.51) CTSSCTSKCTSBCTSLSCN9A
SCHEMBL29052272 0.89 CTSS (0.51) CTSSCTSKCTSBCTSLSCN9A
SCHEMBL7152899 0.83 CTSS (0.67) CTSSCTSKCTSBCTSLAKT1
SCHEMBL12009170 0.83 CTSS (0.48) CTSSCTSKCTSBCTSLSCN9A
SCHEMBL15244582 0.83 CTSS (0.58) CTSSCTSKCTSBCTSLSCN9A
SCHEMBL12009168 0.82 CTSS (0.53) CTSSCTSK
SCHEMBL17133714 0.82 CTSK (0.48) CTSSCTSKCTSBCTSLSCN9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116583497-A N-benzyl-alpha-aminoamides as late promoting complex/loop (APC/C) inhibitors 科学研究高级委员会(CSIC) 2023-08-11 CN disclosed
WO-2022129397-A1 N-BENZYL-ALPHA-AMINOAMIDES AS ANAPHASE-PROMOTING COMPLEX/CYCLOSOME (APC/C) INHIBITORS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2022-06-23 WO disclosed
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