SCHEMBL9409541

SCHEMBL9409541

COC(=O)CC[C@H]1CC[C@H](NC(=O)c2ccc(C3CCN(C(=O)OC(C)(C)C)C3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.46
HDAC4 P56524 3/20 0.45
HDAC6 Q9UBN7 2/20 0.45
USP30 Q70CQ3 3/20 0.45
LCK P06239 1/20 0.44
JAK3 P52333 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.44
HTR2A P28223 3/20 0.43
DRD3 P35462 3/20 0.43
DRD2 P14416 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
NAMPT P43490 1/20 0.41

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
SCHEMBL9409500 0.94 HDAC4 (0.48) HDAC4HDAC6LCKJAK3KDM4E
SCHEMBL9409396 0.86 HTR2A (0.49) HTR2ADRD3DRD2KMT2ALMNA
SCHEMBL4181896 0.83 HDAC4 (0.57) HDAC4HDAC6LCKJAK3KDM4E
SCHEMBL9409398 0.82 HTR2A (0.52) HDAC4HDAC6HTR2ADRD3DRD2
SCHEMBL9409599 0.81 HTR2A (0.44) KDM4EHTR2ADRD3DRD2LMNA
SCHEMBL9409417 0.80 HRH3 (0.52) HTR2ADRD3DRD2LMNA
SCHEMBL9409528 0.79 HDAC4 (0.41) HDAC4HDAC6USP30KDM4EPKM
SCHEMBL9409411 0.79 NAMPT (0.47) PDE4BKDM4EPKML3MBTL1LMNA
SCHEMBL9409552 0.79 KMT2A (0.51) HDAC4HDAC6LCKJAK3KDM4E
SCHEMBL9409412 0.78 PDE4B (0.59) PDE4BUSP30KDM4EPKMKMT2A

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-0604800-A1 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors Dr. Karl Thomae GmbH (DE) 1994-07-06 EP disclosed