SCHEMBL7972908

SCHEMBL7972908

O=C(NCC1CCN(CCc2ccc(Cl)cc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
CCR2 P41597 3/20 0.40
HTR4 Q13639 6/20 0.40
HTR2A P28223 5/20 0.40
KCNH2 Q12809 3/20 0.40
CACNA1I Q9P0X4 3/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HTR7 P34969 1/20 0.39
GSK3B P49841 2/20 0.38
FAAH O00519 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 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 SCHEMBL7972872 0.99 L3MBTL1 (0.44) L3MBTL1CCR2HTR4HTR2AKCNH2
SCHEMBL7972913 0.95 LTA4H (0.42) L3MBTL1CCR2HTR4KCNH2CACNA1I
Hydrochloric Acid SCHEMBL7982374 0.94 KDM1A (0.41) L3MBTL1CCR2HTR4KCNH2CACNA1I
SCHEMBL7981833 0.92 HTR4 (0.47) HTR4HTR2AKCNH2GSK3BFAAH
SCHEMBL7985752 0.92 CACNA1I (0.44) HTR4HTR2AKCNH2CACNA1ILMNA
SCHEMBL7982581 0.92 CCR3 (0.46) HTR4HTR2AKCNH2HTR7GSK3B
Hydrochloric Acid SCHEMBL7986403 0.92 HTR4 (0.47) HTR4HTR2AKCNH2GSK3BFAAH
Hydrochloric Acid SCHEMBL7984545 0.91 CACNA1I (0.43) HTR4HTR2AKCNH2CACNA1ILMNA
Hydrochloric Acid SCHEMBL7983273 0.91 CCR3 (0.45) HTR4HTR2AKCNH2HTR7GSK3B
SCHEMBL7986842 0.88 HRH3 (0.44) HTR4HTR7FAAHBCHEACHE

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