SCHEMBL7499874

SCHEMBL7499874

CN[C@H]1CCN(c2c(F)cn3c(=O)c(OC(=O)O)cc(C4CC4)c3c2C)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.39
KCNH2 Q12809 7/20 0.37
SCN5A Q14524 1/20 0.34
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
BTK Q06187 2/20 0.31

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
SCHEMBL7503826 0.88 KCNH2 (0.37) KCNH2SCN5AKDM4EALDH1A1LMNA
SCHEMBL7504904 0.87 ALDH1A1 (0.40) TOP1KCNH2SCN5APIM1PIM3
SCHEMBL7502899 0.87 ALDH1A1 (0.40) TOP1KCNH2SCN5APIM1PIM3
SCHEMBL7546411 0.87 ALDH1A1 (0.40) TOP1KCNH2SCN5APIM1PIM3
SCHEMBL8569098 0.86 KCNH2 (0.42) TOP1KCNH2SCN5APIM1PIM3
SCHEMBL8569090 0.86 KCNH2 (0.42) TOP1KCNH2SCN5APIM1PIM3
SCHEMBL7503507 0.86 KDM4E (0.35) KCNH2SCN5AKDM4EALDH1A1HPGD
SCHEMBL7497603 0.86 KCNH2 (0.35) KCNH2SCN5A
SCHEMBL7506175 0.86 KCNH2 (0.35) KCNH2SCN5A
Hydrochloric Acid SCHEMBL7502024 0.85 KCNH2 (0.42) TOP1KCNH2SCN5APIM1PIM3

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-0723545-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2002-05-08 EP claimed