SCHEMBL11237629

SCHEMBL11237629

CCCCCCCCCCCCCCCCCCCNc1ccc(C=CC(=O)OCCN(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.59
LMNA P02545 3/20 0.59
MAOA P21397 3/20 0.59
CYP1A2 P05177 1/20 0.59
CNR1 P21554 1/20 0.59
DRD4 P21917 1/20 0.59
HRH2 P25021 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
MAPK1 P28482 1/20 0.59
NTSR1 P30989 1/20 0.59
HRH1 P35367 1/20 0.59
DRD3 P35462 1/20 0.59
SCN1A P35498 1/20 0.59
HTR2B P41595 1/20 0.59
SCN7A Q01118 1/20 0.59
SLC6A3 Q01959 1/20 0.59
KCNH2 Q12809 1/20 0.59
SCN5A Q14524 1/20 0.59
SCN9A Q15858 1/20 0.59

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
SCHEMBL11237626 1.00 ACHE (0.59) ACHELMNAMAOACYP1A2CNR1
SCHEMBL11229892 0.86 CA12 (0.57) APPMAOB
SCHEMBL11229891 0.86 CA12 (0.57) APPMAOB
SCHEMBL11241213 0.85 APP (0.51) SCN5AAPP
SCHEMBL11241216 0.85 APP (0.51) SCN5AAPP
SCHEMBL11239738 0.82 EGFR (0.48) LMNAAPP
SCHEMBL11239735 0.82 EGFR (0.48) LMNAAPP
SCHEMBL11232273 0.81 TDP1 (0.47) LMNAKDM4EAPPALDH1A1
SCHEMBL11232269 0.81 TDP1 (0.47) LMNAKDM4EAPPALDH1A1
SCHEMBL15412942 0.80 LMNA (0.90) ACHELMNAMAOACYP1A2CNR1

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
US-4348399-A Antiatherosclerotic and hypolipidemic 4-(monoalkylamino)phenyl alkane, alkene and alkyne carbinols, aldehydes, carboxylic acids and derivatives AMERICAN CYANAMID COMPANY (US) 1982-09-07 US disclosed