Sugi Predict

Sugi Predict / Compounds / SCHEMBL8469743

SCHEMBL8469743

SCHEMBL8469743

CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(OC(=O)C=Cc3cc4cc(C#N)ccc4s3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 10/20 0.54
▸ ALK Q9UM73 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.42
▸ CHEK2 O96017 2/20 0.39
▸ CETP P11597 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL8470087 0.84 GPR119 (0.52) GPR119ALKUSP30CHEK2CETP
SCHEMBL8470397 0.82 GPR119 (0.50) GPR119ALKUSP30CHEK2CETP
SCHEMBL7390135 0.82 GPR119 (0.50) GPR119ALKUSP30CHEK2CETP
SCHEMBL7390133 0.82 GPR119 (0.50) GPR119ALKUSP30CHEK2CETP
SCHEMBL24117836 0.80 GPR119 (0.79) GPR119ALKUSP30HRH3
SCHEMBL5091205 0.80 GPR119 (0.79) GPR119ALKUSP30HRH3
SCHEMBL31632594 0.80 GPR119 (0.79) GPR119ALKUSP30HRH3
SCHEMBL8469683 0.78 GPR119 (0.57) GPR119ALKCHEK2CETPHRH3
SCHEMBL7381853 0.77 GPR119 (0.50) GPR119ALKUSP30CETP
SCHEMBL8469556 0.77 GPR119 (0.51) GPR119ALKUSP30CHEK2CETP

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