SCHEMBL11350102

SCHEMBL11350102

CCCCCCCCCCCCCCCCNc1ccc(C(=O)OC(C)OCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
SCN5A Q14524 2/20 0.49
CNR1 P21554 2/20 0.49
CYP1A2 P05177 1/20 0.49
MAOA P21397 1/20 0.49
DRD4 P21917 1/20 0.49
ACHE P22303 1/20 0.49
HRH2 P25021 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
MAPK1 P28482 1/20 0.49
NTSR1 P30989 1/20 0.49
HRH1 P35367 1/20 0.49
DRD3 P35462 1/20 0.49
SCN1A P35498 1/20 0.49
HTR2B P41595 1/20 0.49
SCN7A Q01118 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
SCN9A Q15858 1/20 0.49

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
SCHEMBL11346035 0.86 LMNA (0.48) LMNASCN5ACNR1CYP1A2MAOA
SCHEMBL11379562 0.85 LMNA (0.50) LMNASCN5ACNR1CYP1A2MAOA
SCHEMBL11345737 0.84 LMNA (0.51) LMNASCN5ACNR1CYP1A2MAOA
SCHEMBL11341345 0.83 LMNA (0.50) LMNASCN5ACNR1CYP1A2MAOA
SCHEMBL11344784 0.83 LMNA (0.50) LMNASCN5ACNR1CYP1A2MAOA
SCHEMBL11339698 0.82 LMNA (0.49) LMNASCN5ACNR1CYP1A2MAOA
SCHEMBL11541112 0.82 SCN5A (0.53) LMNASCN5ACNR1CYP1A2MAOA
SCHEMBL11343456 0.81 LMNA (0.48) LMNASCN5ACNR1CYP1A2MAOA
Hydrochloric Acid SCHEMBL11345886 0.81 LMNA (0.50) LMNASCN5ACNR1CYP1A2MAOA
SCHEMBL11351301 0.81 LMNA (0.48) LMNASCN5ACNR1CYP1A2MAOA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4272546-A ANTILIPEMIC, ANTIATHEROSCLEROTIC AMERICAN CYANAMID COMPANY (US) 1981-06-09 US disclosed
US-4254138-A ANTILIPEMIC AGENTS AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-03-03 US disclosed
US-4196208-A ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed