SCHEMBL6830828

SCHEMBL6830828

COC1(C)CCNC(OC(=O)c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
TSHR P16473 3/20 0.42
KMT2A Q03164 3/20 0.40
CHRNA7 P36544 2/20 0.39
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR3E A5X5Y0 2/20 0.37
HTR3B O95264 2/20 0.37
HTR3A P46098 2/20 0.37
HTR3D Q70Z44 2/20 0.37
HTR3C Q8WXA8 2/20 0.37
MAPK1 P28482 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ABCB1 P08183 2/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36

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
SCHEMBL6825919 0.85 GAA (0.54) GAATSHRKMT2ACHRNA7MEN1
SCHEMBL31480225 0.75 GAA (0.43) GAATSHRKMT2ACHRNA7MEN1
SCHEMBL27499699 0.73 CHRNA7 (0.56) GAATSHRKMT2ACHRNA7MEN1
SCHEMBL27301151 0.72 CHRNA7 (0.51) GAAKMT2ACHRNA7MEN1LMNA
SCHEMBL26105561 0.71 CHRNA7 (0.50) GAATSHRKMT2ACHRNA7MEN1
SCHEMBL11056537 0.70 CHRNA7 (0.49) GAATSHRKMT2ACHRNA7MEN1
SCHEMBL27134058 0.67 GAA (0.55) GAATSHRKMT2ACHRNA7MEN1
SCHEMBL4702654 0.67 GAA (0.55) GAATSHRKMT2ACHRNA7MEN1
SCHEMBL97715 0.67 GAA (1.00) GAATSHRKMT2ACHRNA7MEN1
SCHEMBL8183692 0.66 GAA (0.58) GAATSHRKMT2ACHRNA7MEN1

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
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed