SCHEMBL7983777

SCHEMBL7983777

O=S(=O)(/C=C/C1=Cc2cnc3cccc(n23)S1)NCC1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.42
HTR2A P28223 2/20 0.37
KCNH2 Q12809 2/20 0.37
LTA4H P09960 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
SIGMAR1 Q99720 3/20 0.35
DRD2 P14416 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CCR3 P51677 1/20 0.35
KDM1A O60341 5/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
HDAC6 Q9UBN7 4/20 0.33
HDAC3 O15379 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HDAC1 Q13547 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
SCHEMBL7983780 1.00 GRIN2B (0.42) GRIN2BHTR2AKCNH2LTA4HHRH3
Hydrochloric Acid SCHEMBL7986544 0.99 GRIN2B (0.42) GRIN2BHTR2AKCNH2LTA4HHRH3
Hydrochloric Acid SCHEMBL7986547 0.99 GRIN2B (0.42) GRIN2BHTR2AKCNH2LTA4HHRH3
SCHEMBL7985592 0.88 HTR2A (0.39) GRIN2BHTR2AKCNH2HRH3SIGMAR1
SCHEMBL7985591 0.88 HTR2A (0.39) GRIN2BHTR2AKCNH2HRH3SIGMAR1
Hydrochloric Acid SCHEMBL7985606 0.88 HTR2A (0.38) GRIN2BHTR2AKCNH2HRH3SIGMAR1
Hydrochloric Acid SCHEMBL7985599 0.88 HTR2A (0.38) GRIN2BHTR2AKCNH2HRH3SIGMAR1
SCHEMBL7986125 0.85 LTA4H (0.44) GRIN2BKCNH2LTA4HCCR3KDM1A
SCHEMBL7971710 0.85 LTA4H (0.44) GRIN2BKCNH2LTA4HCCR3KDM1A
Hydrochloric Acid SCHEMBL7984719 0.84 LTA4H (0.43) GRIN2BHTR2AKCNH2LTA4HCCR3

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