SCHEMBL8472255

SCHEMBL8472255

C[C@@H]1C[C@H](Oc2ccc(OC(=O)CCc3cc4cc(C#N)ccc4s3)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.39
AR P10275 1/20 0.34
PIK3CD O00329 1/20 0.33
ALK Q9UM73 1/20 0.32
KDM2B Q8NHM5 5/20 0.31
MCL1 Q07820 2/20 0.31
P2RX3 P56373 1/20 0.31
CETP P11597 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL8469683 0.85 GPR119 (0.57) GPR119ALKCETP
SCHEMBL7380630 0.82 GPR119 (0.39) GPR119ARPIK3CDMCL1GRIN1
SCHEMBL8470397 0.81 GPR119 (0.50) GPR119ALKCETP
SCHEMBL8472880 0.81 GPR119 (0.41) GPR119
SCHEMBL8469556 0.79 GPR119 (0.51) GPR119ALKCETP
SCHEMBL8471690 0.77 GPR119 (0.34) GPR119ALKCETP
SCHEMBL8470765 0.74 KDM4E (0.44)
SCHEMBL7390604 0.71 GPR119 (0.46) GPR119PIK3CDALKCETP
SCHEMBL8471547 0.70 GPR119 (0.54) GPR119ALKCETP
SCHEMBL8469775 0.70 GPR119 (0.60) GPR119ALKCETP

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