SCHEMBL6683519

SCHEMBL6683519

CC(C)(C)NC(=O)OC(Cc1ccccn1)c1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
PTPRA P18433 1/20 0.39
NPC1 O15118 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
TSHR P16473 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
PRMT1 Q99873 1/20 0.38
CYP1A2 P05177 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37

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
SCHEMBL6679211 0.82 PTPRA (0.46) L3MBTL1PTPRANPC1MAOAMAOB
SCHEMBL27910723 0.73 TSHR (0.42) L3MBTL1NPC1ADORA3TSHRCYP1A2
SCHEMBL6683522 0.73 LMNA (0.39) L3MBTL1SLC6A2TSHRCYP1A2LMNA
SCHEMBL27747236 0.71 GRIN2B (0.43) NPC1TSHRCYP1A2GRIN2BSCN9A
SCHEMBL29112408 0.71 MAPT (0.46) NPC1SLC6A2SCN9ALMNARAB9A
SCHEMBL27726323 0.71 MAPT (0.46) NPC1SLC6A2SCN9ALMNARAB9A
SCHEMBL27726319 0.71 MAPT (0.46) NPC1SLC6A2SCN9ALMNARAB9A
SCHEMBL10290171 0.71 SMN1; SMN2 (0.62) L3MBTL1NPC1PGRADORA3PTGS1
SCHEMBL27454529 0.70 ADRB2 (0.38) NPC1LMNARAB9ASMN1; SMN2
SCHEMBL28862367 0.69 MAPT (0.47) NPC1SCN9ALMNARAB9A

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