SCHEMBL24521561

SCHEMBL24521561

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.51
CTSK P43235 9/20 0.51
CTSB P07858 4/20 0.51
CTSL P07711 3/20 0.51
HTRA1 Q92743 2/20 0.50
SCN9A Q15858 1/20 0.49
AKT1 P31749 1/20 0.46
PSMB1 P20618 1/20 0.45
PSMB8 P28062 1/20 0.45
PSMB9 P28065 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB10 P40306 1/20 0.45
PSMB2 P49721 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
GRB2 P62993 1/20 0.43

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
SCHEMBL29052272 1.00 CTSS (0.51) CTSSCTSKCTSBCTSLHTRA1
SCHEMBL24521579 0.90 CTSS (0.53) CTSSCTSKCTSBCTSLHTRA1
SCHEMBL29052292 0.90 CTSS (0.53) CTSSCTSKCTSBCTSLHTRA1
SCHEMBL24521573 0.89 CTSS (0.60) CTSSCTSKCTSBCTSLHTRA1
SCHEMBL29052547 0.89 CTSS (0.60) CTSSCTSKCTSBCTSLHTRA1
SCHEMBL24521600 0.83 SCN9A (0.53) CTSSCTSKCTSBCTSLSCN9A
SCHEMBL29052629 0.83 SCN9A (0.53) CTSSCTSKCTSBCTSLSCN9A
SCHEMBL12009170 0.80 CTSS (0.48) CTSSCTSKCTSBCTSLSCN9A
SCHEMBL30604548 0.80 MAOB (0.51) PSMB1PSMB8PSMB9PSMB5PSMB10
SCHEMBL30002113 0.80 MAOB (0.51) PSMB1PSMB8PSMB9PSMB5PSMB10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263494-A1 N-BENZYL-ALPHA-AMINOAMIDES AS ANAPHASE-PROMOTING COMPLEX/CYCLOSOME (APC/C) INHIBITORS Consejo Superior De Investigaciones Científicas (CSIC) (ES) 2023-10-25 EP disclosed
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
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