SCHEMBL5752525

SCHEMBL5752525

CN(C)c1ccc(CC(SCC2CCCCC2)C(CNC(=O)c2ccccc2O)NC(=O)[C@@H]2CSCN2)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
CTSC P53634 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
CTSD P07339 1/20 0.30

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
SCHEMBL5757143 0.90 ALDH1A1 (0.35) ALDH1A1HPGD
SCHEMBL5754339 0.90 ALDH1A1 (0.35) ALDH1A1HPGD
SCHEMBL5755208 0.89 CACNA1B (0.36) BACE1LMNAMAPTCTSCKDM4E
SCHEMBL5755360 0.88 LMNA (0.34) BACE1LMNAMAPTMAPK1L3MBTL1
SCHEMBL5753443 0.88 GSK3B (0.33) LMNAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL5756531 0.87 HTR2C (0.40)
SCHEMBL5753447 0.86 MEN1 (0.31) LMNAMAPTMAPK1L3MBTL1TDP1
SCHEMBL5754943 0.86 MEN1 (0.31) LMNAMAPTMAPK1L3MBTL1TDP1
SCHEMBL5754373 0.86 MAPT (0.32) BACE1LMNAMAPTTDP1CTSC
SCHEMBL5753219 0.84 ALDH1A1 (0.34) BACE1LMNAALDH1A1HPGD

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-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed