SCHEMBL7985752

SCHEMBL7985752

O=C(NCC1CCN(CCc2cccc(Cl)c2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 3/20 0.44
KCNH2 Q12809 2/20 0.44
TP53 P04637 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F10 P00742 2/20 0.41
HTR2A P28223 2/20 0.40
HTR4 Q13639 2/20 0.40
ACHE P22303 2/20 0.40
GSK3B P49841 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
NAPEPLD Q6IQ20 1/20 0.39
HTR7 P34969 1/20 0.39
CCR3 P51677 1/20 0.39
HTR1A P08908 1/20 0.39
SLC6A4 P31645 1/20 0.39

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 SCHEMBL7984545 0.99 CACNA1I (0.43) CACNA1IKCNH2TP53MAPTSMN1; SMN2
SCHEMBL7981938 0.95 CACNA1I (0.43) CACNA1IKCNH2TP53MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7986131 0.94 CACNA1I (0.42) CACNA1IKCNH2TP53MAPTSMN1; SMN2
SCHEMBL7972908 0.92 L3MBTL1 (0.45) CACNA1IKCNH2TP53HTR2AHTR4
Hydrochloric Acid SCHEMBL7972872 0.91 L3MBTL1 (0.44) CACNA1IKCNH2TP53HTR2AHTR4
SCHEMBL7981833 0.91 HTR4 (0.47) KCNH2HTR2AHTR4ACHEGSK3B
SCHEMBL7982506 0.90 HTR7 (0.41) HTR2AHTR4ACHEGSK3BHTR7
Hydrochloric Acid SCHEMBL7986403 0.90 HTR4 (0.47) KCNH2HTR2AHTR4ACHEGSK3B
Hydrochloric Acid SCHEMBL7983327 0.90 HTR7 (0.41) HTR2AHTR4ACHEGSK3BHTR7
SCHEMBL7972913 0.87 LTA4H (0.42) CACNA1IKCNH2HTR4HTR7CCR3

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 1 patent. 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