SCHEMBL8712812

SCHEMBL8712812

Cc1nc2cccc3nc(SCCC4CCN(C(=O)OC(C)(C)C)CC4)c1n23

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.43
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
TGFBR1 P36897 4/20 0.41
FAAH O00519 1/20 0.40
GRM5 P41594 1/20 0.40
THRB P10828 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 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
SCHEMBL7871606 0.78 GPR119 (0.45) GPR119KDM4EPKMTGFBR1FAAH
SCHEMBL8712463 0.77 GPR119 (0.43) GPR119KDM4EPKMFAAHTHRB
SCHEMBL7868708 0.77 GPR119 (0.43) GPR119KDM4EPKMTGFBR1THRB
SCHEMBL8444736 0.74 KDM4E (0.59) GPR119KDM4EPKMTGFBR1THRB
SCHEMBL7875427 0.74 GPR119 (0.46) GPR119KDM4EGRM5THRBMAPT
SCHEMBL3138251 0.73 IDH1 (0.49) GPR119KDM4EPKMTGFBR1FAAH
SCHEMBL6011556 0.71 GPR119 (0.62) GPR119KDM4EPKMFAAHTHRB
SCHEMBL31192689 0.71 KDM4E (0.52) GPR119KDM4EPKMTGFBR1FAAH
SCHEMBL1532924 0.71 GPR119 (0.57) GPR119KDM4EPKMGRM5
SCHEMBL5763005 0.71 GPR119 (0.51) GPR119KDM4EPKM

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
EP-0826686-A2 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-04 EP disclosed