SCHEMBL7972913

SCHEMBL7972913

O=C(NCC1CCN(CCCc2ccc(Cl)cc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
KDM1A O60341 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
CCR2 P41597 4/20 0.39
CCR3 P51677 1/20 0.39
CACNA1I Q9P0X4 3/20 0.39
KCNH2 Q12809 3/20 0.39
GRIN2B Q13224 1/20 0.38
HTR4 Q13639 1/20 0.38
HTR7 P34969 1/20 0.38
HDAC3 O15379 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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 SCHEMBL7982374 0.99 KDM1A (0.41) LTA4HKDM1AHDAC6L3MBTL1CCR2
SCHEMBL7972908 0.95 L3MBTL1 (0.45) L3MBTL1CCR2CACNA1IKCNH2HTR4
Hydrochloric Acid SCHEMBL7972872 0.94 L3MBTL1 (0.44) L3MBTL1CCR2CACNA1IKCNH2HTR4
SCHEMBL7982426 0.93 LTA4H (0.47) LTA4HKDM1AHDAC6KCNH2GRIN2B
SCHEMBL7981938 0.92 CACNA1I (0.43) LTA4HHDAC6CACNA1IKCNH2HTR7
SCHEMBL7989275 0.92 CCR3 (0.47) LTA4HKDM1AHDAC6CCR3GRIN2B
SCHEMBL7986487 0.92 LTA4H (0.42) LTA4HKDM1AHDAC6CCR3KCNH2
Hydrochloric Acid SCHEMBL7986708 0.92 LTA4H (0.44) LTA4HKDM1AHDAC6CCR3KCNH2
Hydrochloric Acid SCHEMBL7971795 0.92 LTA4H (0.47) LTA4HKDM1AHDAC6KCNH2GRIN2B
Hydrochloric Acid SCHEMBL7986131 0.91 CACNA1I (0.42) LTA4HHDAC6CACNA1IKCNH2HTR7

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