SCHEMBL8469775

SCHEMBL8469775

CC(C)(C)OC(=O)N1CCC(Oc2ccc(OC(=O)CCc3ccc4ccc(C#N)cc4c3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.60
ALK Q9UM73 1/20 0.47
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
CETP P11597 1/20 0.42
CHEK2 O96017 1/20 0.41
MLNR O43193 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL8471547 0.95 GPR119 (0.54) GPR119ALKCCNCCDK8CETP
SCHEMBL8471906 0.90 GPR119 (0.47) GPR119CCNCCDK8CHEK2
SCHEMBL8469683 0.85 GPR119 (0.57) GPR119ALKCETPCHEK2PDE4A
SCHEMBL6954502 0.84 GPR119 (0.61) GPR119ALKCCNCCDK8CETP
SCHEMBL8469533 0.83 GPR119 (0.58) GPR119ALKCETPCHEK2PDE4A
SCHEMBL8470008 0.83 GPR119 (0.47) GPR119ALKCCNCCDK8CETP
SCHEMBL6948410 0.82 GPR119 (0.58) GPR119ALKCCNCCDK8CETP
SCHEMBL7383597 0.82 GPR119 (0.58) GPR119ALKCETP
SCHEMBL6959973 0.82 GPR119 (0.58) GPR119ALKCCNCCDK8CETP
SCHEMBL6955324 0.81 F10 (0.58) GPR119ALK

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