SCHEMBL7982426

SCHEMBL7982426

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
GRIN2B Q13224 1/20 0.46
CHRM4 P08173 1/20 0.42
HTR2A P28223 2/20 0.42
HTR4 Q13639 2/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
HDAC6 Q9UBN7 7/20 0.41
KDM1A O60341 6/20 0.41
HDAC3 O15379 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
DRD4 P21917 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KCNH2 Q12809 1/20 0.41

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 SCHEMBL7971795 0.99 LTA4H (0.47) LTA4HGRIN2BCHRM4HTR2AHTR4
SCHEMBL7989635 0.97 LTA4H (0.45) LTA4HGRIN2BCHRM4HTR2AHTR4
SCHEMBL7972411 0.97 LTA4H (0.44) LTA4HGRIN2BCHRM4HTR2AHTR4
Hydrochloric Acid SCHEMBL7973177 0.97 LTA4H (0.44) LTA4HGRIN2BCHRM4HTR2AHTR4
Hydrochloric Acid SCHEMBL7985967 0.96 LTA4H (0.44) LTA4HGRIN2BCHRM4HTR2AHTR4
SCHEMBL7981833 0.95 HTR4 (0.47) LTA4HHTR2AHTR4HDAC6HDAC3
Hydrochloric Acid SCHEMBL7986403 0.94 HTR4 (0.47) LTA4HHTR2AHTR4HDAC6HDAC3
SCHEMBL7990607 0.93 GRIN2B (0.41) LTA4HGRIN2BCHRM4HTR2AHTR4
SCHEMBL7986487 0.93 LTA4H (0.42) LTA4HGRIN2BHTR2AHTR4HDAC6
SCHEMBL7972913 0.93 LTA4H (0.42) LTA4HGRIN2BHTR4HDAC6KDM1A

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