SCHEMBL3399717

SCHEMBL3399717

O=[C]N1CCCC1C(=O)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
KDM2B Q8NHM5 1/20 0.53
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 2/20 0.44
PREP P48147 2/20 0.43
FAP Q12884 1/20 0.43
BCHE P06276 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL28611110 0.77 GAA (0.54) GAAKDM2BNPC1ALDH1A1LMNA
SCHEMBL14808496 0.73 GAA (0.53) GAAKDM2BALDH1A1LMNAMAPT
SCHEMBL5741372 0.71 ALDH1A1 (0.51) GAAALDH1A1PREPFAPKDM4E
SCHEMBL2504314 0.71 ALDH1A1 (0.51) GAAALDH1A1PREPFAPKDM4E
SCHEMBL31279942 0.71 GAA (0.60) GAAKDM2BALDH1A1LMNAMAPT
SCHEMBL11762859 0.71 GAA (0.60) GAAKDM2BALDH1A1LMNAMAPT
SCHEMBL8712217 0.70 GAA (0.63) GAAKDM2BNPC1ALDH1A1LMNA
SCHEMBL29875548 0.70 GAA (0.63) GAAKDM2BNPC1ALDH1A1LMNA
SCHEMBL26265725 0.69 MEN1 (0.54) GAAALDH1A1LMNAPREPFAP
SCHEMBL17913852 0.69 KDM2B (1.00) GAAKDM2BALDH1A1

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-2206704-A1 Pharmaceutically active diazepanes Novartis AG (CH) 2010-07-14 EP claimed