SCHEMBL7981938

SCHEMBL7981938

O=C(NCC1CCN(CCCc2cccc(Cl)c2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 3/20 0.43
KCNH2 Q12809 2/20 0.43
TP53 P04637 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F10 P00742 2/20 0.40
ACHE P22303 2/20 0.39
GSK3B P49841 1/20 0.39
LTA4H P09960 1/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.39
HTR7 P34969 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 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 SCHEMBL7986131 0.99 CACNA1I (0.42) CACNA1IKCNH2TP53MAPTSMN1; SMN2
SCHEMBL7985752 0.95 CACNA1I (0.44) CACNA1IKCNH2TP53MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7984545 0.94 CACNA1I (0.43) CACNA1IKCNH2TP53MAPTSMN1; SMN2
SCHEMBL7972913 0.92 LTA4H (0.42) CACNA1IKCNH2LTA4HHTR7HDAC3
Hydrochloric Acid SCHEMBL7982374 0.91 KDM1A (0.41) CACNA1IKCNH2LTA4HHTR7HDAC3
SCHEMBL7982426 0.91 LTA4H (0.47) KCNH2GSK3BLTA4HHDAC3HDAC4
SCHEMBL7983503 0.91 KDM1A (0.42) ACHEGSK3BLTA4HHTR7
Hydrochloric Acid SCHEMBL7971795 0.90 LTA4H (0.47) KCNH2GSK3BLTA4HHDAC3HDAC4
Hydrochloric Acid SCHEMBL7981947 0.90 KDM1A (0.41) ACHEGSK3BLTA4HHTR7
SCHEMBL7989635 0.89 LTA4H (0.45) GSK3BLTA4HHDAC3HDAC4HDAC1

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