SCHEMBL7855964

SCHEMBL7855964

CCCCOC(=O)N1CCC(CN2CCN(CC(=O)OCC)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHRM4 P08173 1/20 0.43
GAA P10253 1/20 0.42
KCNH2 Q12809 3/20 0.39
HRH2 P25021 4/20 0.39
HRH1 P35367 4/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL3303792 0.86 LMNA (0.49) LMNAPOLBSMN1; SMN2PKMKDM4E
SCHEMBL3306024 0.85 CHRM1 (0.51) LMNAPOLBSMN1; SMN2PKMKDM4E
SCHEMBL13174683 0.82 POLB (0.52) LMNAPOLBSMN1; SMN2PKMKDM4E
SCHEMBL7581212 0.81 PKM (0.43) PKMKDM4ECHRM4GAA
SCHEMBL30066393 0.81 LMNA (0.49) LMNAPOLBSMN1; SMN2CHRM4GAA
SCHEMBL3311351 0.80 SMN1; SMN2 (0.48) LMNAPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL23125043 0.79 LMNA (0.49) LMNAPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL21458714 0.78 PKM (0.43) LMNASMN1; SMN2PKMKDM4EALDH1A1
SCHEMBL13174685 0.78 POLB (0.48) LMNAPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL26984738 0.77 LMNA (0.47) LMNAPOLBSMN1; SMN2CHRM4GAA

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-1163242-A2 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM Boehringer Ingelheim Pharma KG (DE) 2001-12-19 EP disclosed
WO-2000055162-A2 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 WO disclosed