SCHEMBL7983350

SCHEMBL7983350

O=C(CN1CCC(CNC(=O)C2=Cc3cnc4cccc(n34)S2)CC1)Nc1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GSK3B P49841 1/20 0.34
CACNA1I Q9P0X4 5/20 0.34
KCNH2 Q12809 2/20 0.34
DRD4 P21917 1/20 0.34
CHRM4 P08173 2/20 0.33
CNR2 P34972 1/20 0.33
WNT3A P56704 1/20 0.33
LMNA P02545 2/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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 SCHEMBL7972026 0.99 FAAH (0.37) FAAHBCHEACHEMAPK1ALDH1A1
SCHEMBL7971581 0.88 LMNA (0.42) ALDH1A1GSK3BCACNA1IKCNH2DRD4
Hydrochloric Acid SCHEMBL7971812 0.88 LMNA (0.42) ALDH1A1GSK3BCACNA1IKCNH2DRD4
SCHEMBL7983020 0.86 GSK3B (0.47) ALDH1A1GSK3BDRD4LMNASMN1; SMN2
SCHEMBL7986097 0.86 SMN1; SMN2 (0.43) ALDH1A1GSK3BDRD4LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7989390 0.85 GSK3B (0.46) ALDH1A1GSK3BDRD4LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7989779 0.85 SMN1; SMN2 (0.42) ALDH1A1GSK3BDRD4LMNASMN1; SMN2
SCHEMBL7986004 0.83 CCR3 (0.38) FAAHBCHEACHECACNA1IKCNH2
Hydrochloric Acid SCHEMBL7971789 0.82 CCR3 (0.37) FAAHBCHEACHECACNA1IKCNH2
SCHEMBL7986037 0.82 HTT (0.46) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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