SCHEMBL8527247

SCHEMBL8527247

NCC(=O)N1CCCN(CCc2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.75
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
KCNH2 Q12809 1/20 0.59
SLC6A3 Q01959 1/20 0.57
TSHR P16473 1/20 0.56
NPC1 O15118 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ACHE P22303 1/20 0.53
CHRM3 P20309 1/20 0.52
HSD11B1 P28845 1/20 0.51
NOS3 P29474 1/20 0.51
NOS1 P29475 1/20 0.51

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
Hydrochloric Acid SCHEMBL7989578 0.99 SIGMAR1 (0.73) SIGMAR1MEN1KMT2AKCNH2SLC6A3
SCHEMBL8900932 0.94 SIGMAR1 (0.83) SIGMAR1MEN1KMT2AKCNH2SLC6A3
SCHEMBL8525748 0.92 SIGMAR1 (0.90) SIGMAR1CHRM3
Hydrochloric Acid SCHEMBL7989870 0.91 SIGMAR1 (0.87) SIGMAR1TSHRCHRM3
Hydrochloric Acid SCHEMBL7982333 0.84 SIGMAR1 (0.97) SIGMAR1TSHR
SCHEMBL25238918 0.82 MEN1 (0.89) SIGMAR1MEN1KMT2AKCNH2SLC6A3
SCHEMBL13149771 0.81 MEN1 (0.68) SIGMAR1MEN1KMT2AKCNH2SLC6A3
SCHEMBL4140482 0.80 MEN1 (0.66) SIGMAR1MEN1KMT2AKCNH2SLC6A3
SCHEMBL3030886 0.80 MEN1 (0.66) SIGMAR1MEN1KMT2AKCNH2SLC6A3
SCHEMBL5524549 0.79 MEN1 (0.69) SIGMAR1MEN1KMT2AKCNH2SLC6A3

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-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed