SCHEMBL5206637

SCHEMBL5206637

CN(C)C(=O)Cn1cc(C2CCN(C(=O)c3ccccn3)C2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
PDE5A O76074 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE7A Q13946 1/20 0.44
PDE3A Q14432 1/20 0.44
EPHX2 P34913 1/20 0.43
HSD11B1 P28845 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AXL P30530 1/20 0.41
FLT3 P36888 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
KDM5A P29375 1/20 0.40
HRH2 P25021 1/20 0.40
PDE2A O00408 1/20 0.40
PDE10A Q9Y233 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5205820 0.82 HRH2 (0.42) LMNAL3MBTL1HRH2KMT2A
SCHEMBL4851493 0.82 MEN1 (0.45) HRH2MEN1KMT2A
SCHEMBL4854486 0.82 ALDH1A1 (0.46) HSD11B1L3MBTL1HRH2MEN1KMT2A
SCHEMBL4860552 0.82 HRH2 (0.46) LMNAL3MBTL1HRH2KMT2A
SCHEMBL4859778 0.81 SLC2A1 (0.49) LMNAMEN1KMT2A
SCHEMBL4854494 0.79 HRH2 (0.46) LMNAPDE3AHSD11B1HRH2PDE2A
SCHEMBL5202530 0.79 ALDH1A1 (0.42) LMNAKMT2ACREBBP
SCHEMBL5204405 0.74 EPHX2 (0.49) LMNAPDE4BEPHX2MEN1KMT2A
SCHEMBL4859493 0.73 ALDH1A1 (0.50) LMNAMEN1KMT2ACREBBP
SCHEMBL5203062 0.73 HCRTR1 (0.49) LMNAHRH2

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-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP disclosed