SCHEMBL8613356

SCHEMBL8613356

CC(C)(C)OC(=O)N1CCC(CCCSC(=O)c2cccs2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.48
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
FAAH O00519 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM3 P20309 1/20 0.43

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
SCHEMBL8618331 0.83 GPR119 (0.49) GPR119KDM4EPKMFAAH
SCHEMBL6976862 0.78 KDM4E (0.69) GPR119KDM4EPKMALDH1A1CHRM2
SCHEMBL226265 0.77 ALDH1A1 (0.54) GPR119ALDH1A1
SCHEMBL9035867 0.77 KDM4E (0.52) GPR119KDM4EPKMFAAH
SCHEMBL985065 0.75 GPR119 (0.55) GPR119KDM4EPKMALDH1A1
SCHEMBL24009108 0.74 GPR119 (0.52) GPR119KDM4EPKMFAAH
SCHEMBL15085741 0.74 GPR119 (0.59) GPR119KDM4EPKMFAAH
SCHEMBL3159336 0.73 GAA (0.60) ALDH1A1
SCHEMBL7445735 0.73 GPR119 (0.48) GPR119KDM4EPKMFAAH
SCHEMBL25908048 0.73 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
US-5786373-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-07-28 US disclosed