SCHEMBL4066749

SCHEMBL4066749

CCC[C@@](O)(C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
ALDH1A1 P00352 6/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
KDM4E B2RXH2 6/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL4070571 1.00 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4070574 1.00 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4060201 0.88 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4060200 0.88 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3943321 0.88 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6065453 0.84 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4427631 0.84 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13791825 0.82 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8199645 0.82 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8202406 0.82 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109604-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-10-21 EP disclosed
WO-2008092786-A1 6-OXO-6,7-DIHYDRO-5H-DIBENZO[B,D]AZEPIN-7-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 WO disclosed