SCHEMBL8618331

SCHEMBL8618331

CC(C)(C)OC(=O)N1CCC(CCCSc2cccs2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.49
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
FAAH O00519 1/20 0.46
TGFBR1 P36897 1/20 0.44

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
SCHEMBL3766890 0.83 ACKR3 (0.48) GPR119
SCHEMBL8613356 0.83 GPR119 (0.48) GPR119KDM4EPKMFAAH
SCHEMBL7445735 0.81 GPR119 (0.48) GPR119KDM4EPKMFAAH
SCHEMBL4772966 0.80 GPR119 (0.52) GPR119KDM4EPKM
SCHEMBL9035867 0.78 KDM4E (0.52) GPR119KDM4EPKMFAAHTGFBR1
SCHEMBL6011562 0.77 GPR119 (0.44) GPR119KDM4EPKMFAAH
SCHEMBL985065 0.76 GPR119 (0.55) GPR119KDM4EPKM
SCHEMBL24009108 0.76 GPR119 (0.52) GPR119KDM4EPKMFAAH
SCHEMBL1575483 0.75 GPR119 (0.74) GPR119
SCHEMBL15085741 0.75 GPR119 (0.59) GPR119KDM4EPKMFAAH

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-5786373-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-07-28 US disclosed