SCHEMBL7985591

SCHEMBL7985591

O=S(=O)(/C=C/C1=Cc2cnc3cccc(n23)S1)CC1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2B Q13224 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
SIGMAR1 Q99720 3/20 0.37
DRD2 P14416 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CCR3 P51677 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALDH1A1 P00352 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7985592 1.00 HTR2A (0.39) HTR2AKCNH2GRIN2BHRH3SIGMAR1
Hydrochloric Acid SCHEMBL7985606 0.99 HTR2A (0.38) HTR2AKCNH2GRIN2BHRH3SIGMAR1
Hydrochloric Acid SCHEMBL7985599 0.99 HTR2A (0.38) HTR2AKCNH2GRIN2BHRH3SIGMAR1
SCHEMBL7983780 0.88 GRIN2B (0.42) HTR2AKCNH2GRIN2BHRH3SIGMAR1
SCHEMBL7983777 0.88 GRIN2B (0.42) HTR2AKCNH2GRIN2BHRH3SIGMAR1
Hydrochloric Acid SCHEMBL7986547 0.88 GRIN2B (0.42) HTR2AKCNH2GRIN2BHRH3SIGMAR1
Hydrochloric Acid SCHEMBL7986544 0.88 GRIN2B (0.42) HTR2AKCNH2GRIN2BHRH3SIGMAR1
SCHEMBL7982030 0.84 GRIN2B (0.39) HTR2AGRIN2BHRH3SIGMAR1DRD2
SCHEMBL7982025 0.84 GRIN2B (0.39) HTR2AGRIN2BHRH3SIGMAR1DRD2
Hydrochloric Acid SCHEMBL7973069 0.83 GRIN2B (0.39) HTR2AGRIN2BHRH3SIGMAR1DRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
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