SCHEMBL8469683

SCHEMBL8469683

CC(C)(C)OC(=O)N1CCC(Oc2ccc(OC(=O)CCc3cc4cc(C#N)ccc4s3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.57
ALK Q9UM73 1/20 0.46
CETP P11597 1/20 0.42
CHEK2 O96017 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL8470397 0.91 GPR119 (0.50) GPR119ALKCETPCHEK2
SCHEMBL8469556 0.89 GPR119 (0.51) GPR119ALKCETPCHEK2
SCHEMBL8472255 0.85 GPR119 (0.39) GPR119ALKCETP
SCHEMBL8469775 0.85 GPR119 (0.60) GPR119ALKCETPCHEK2PDE4A
SCHEMBL8472880 0.83 GPR119 (0.41) GPR119CHEK2HRH3
SCHEMBL7385395 0.81 GPR119 (0.56) GPR119ALKCETPCHEK2HRH3
SCHEMBL8471690 0.81 GPR119 (0.34) GPR119ALKCETP
SCHEMBL7390604 0.81 GPR119 (0.46) GPR119ALKCETP
SCHEMBL8471547 0.80 GPR119 (0.54) GPR119ALKCETPCHEK2
SCHEMBL8469533 0.80 GPR119 (0.58) GPR119ALKCETPCHEK2HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed