SCHEMBL11558403

SCHEMBL11558403

CCCCCCCCCCCCCCCCNc1ccc(C(=O)C(C#N)C(=O)OCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.44
LMNA P02545 2/20 0.44
SCN5A Q14524 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAOA P21397 1/20 0.44
DRD4 P21917 1/20 0.44
ACHE P22303 1/20 0.44
HRH2 P25021 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
MAPK1 P28482 1/20 0.44
NTSR1 P30989 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SCN1A P35498 1/20 0.44
HTR2B P41595 1/20 0.44
SCN7A Q01118 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN9A Q15858 1/20 0.44

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
SCHEMBL11562680 0.86 PLK1 (0.46) CNR1LMNASCN5ACYP1A2MAOA
SCHEMBL11557233 0.84 LMNA (0.48) CNR1LMNASCN5ACYP1A2MAOA
SCHEMBL11555935 0.81 LMNA (0.45) CNR1LMNASCN5ACYP1A2MAOA
SCHEMBL11555665 0.80 NAAA (0.47) CNR1LMNASCN5ACYP1A2MAOA
SCHEMBL11263074 0.80 CNR1 (0.44) CNR1LMNASCN5ACYP1A2MAOA
SCHEMBL11560333 0.79 CNR1 (0.44) CNR1LMNASCN5ACYP1A2MAOA
SCHEMBL11334918 0.78 LMNA (0.63) CNR1LMNASCN5ACYP1A2MAOA
SCHEMBL22438952 0.78 LMNA (0.63) CNR1LMNASCN5ACYP1A2MAOA
SCHEMBL11503340 0.78 LMNA (0.63) CNR1LMNASCN5ACYP1A2MAOA
SCHEMBL28018634 0.78 LMNA (0.63) CNR1LMNASCN5ACYP1A2MAOA

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
US-4154756-A HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1979-05-15 US claimed
US-4154756-A HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1979-05-15 US disclosed