SCHEMBL7987376

SCHEMBL7987376

O=C(NCC1CCN(CCCc2ccccc2)CC1)C1Cc2cnc3cccc(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
ALDH1A1 P00352 1/20 0.41
BLM P54132 1/20 0.41
KDM1A O60341 5/20 0.40
CHRM4 P08173 1/20 0.40
POLB P06746 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HDAC6 Q9UBN7 4/20 0.38
HDAC3 O15379 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KCNH2 Q12809 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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 SCHEMBL7972962 0.99 LTA4H (0.46) LTA4HGRIN2BALDH1A1BLMKDM1A
Hydrochloric Acid SCHEMBL7983445 0.80 CHRM3 (0.37) CHRM4
SCHEMBL7982426 0.77 LTA4H (0.47) LTA4HGRIN2BALDH1A1BLMKDM1A
Hydrochloric Acid SCHEMBL7971795 0.77 LTA4H (0.47) LTA4HGRIN2BALDH1A1BLMKDM1A
SCHEMBL7989635 0.75 LTA4H (0.45) LTA4HGRIN2BCHRM4CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7973177 0.74 LTA4H (0.44) LTA4HGRIN2BCHRM4CHRNB2CHRNA4
SCHEMBL7972411 0.74 LTA4H (0.44) LTA4HGRIN2BCHRM4CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7985967 0.74 LTA4H (0.44) LTA4HGRIN2BCHRM4CHRNB2CHRNA4
SCHEMBL7986125 0.74 LTA4H (0.44) LTA4HGRIN2BALDH1A1BLMKDM1A
SCHEMBL7971710 0.74 LTA4H (0.44) LTA4HGRIN2BALDH1A1BLMKDM1A

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