SCHEMBL6683522

SCHEMBL6683522

CC(C)(C)NC(=O)OCC(c1ccc(N)cc1)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CASP1 P29466 1/20 0.38
PMP22 Q01453 2/20 0.38
BLM P54132 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC6A3 Q01959 4/20 0.38
CYP2C9 P11712 2/20 0.38
ADRA1A P35348 2/20 0.38
HIF1A Q16665 2/20 0.38
ABCB11 O95342 1/20 0.38
ESR1 P03372 1/20 0.38
ADRA2A P08913 1/20 0.38
PDE4A P27815 1/20 0.38

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
SCHEMBL6679213 0.82 CYP2D6 (0.48) LMNATSHRALDH1A1CYP3A4KDM4E
SCHEMBL28752161 0.77 SYK (0.42) LMNATSHRALDH1A1CYP3A4KDM4E
SCHEMBL6500322 0.73 SIRT1 (0.39) SMN1; SMN2
SCHEMBL6683519 0.73 L3MBTL1 (0.40) LMNATSHRRAB9ACYP1A2SLC6A2
SCHEMBL9530814 0.72 SLC6A2 (0.46) LMNATSHRALDH1A1CYP3A4KDM4E
SCHEMBL27910723 0.71 TSHR (0.42) LMNATSHRALDH1A1CYP3A4KDM4E
SCHEMBL27770762 0.71 MAPT (0.46) LMNACYP1A2NPSR1MEN1KMT2A
SCHEMBL7084236 0.70 SLC6A2 (0.53) LMNATSHRALDH1A1CYP3A4KDM4E
Hydrochloric Acid SCHEMBL29221336 0.70 ALDH1A1 (0.49) LMNATSHRALDH1A1CYP3A4KDM4E
SCHEMBL6831204 0.70 SLC6A2 (0.40) LMNATSHRALDH1A1CYP3A4KDM4E

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
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed