SCHEMBL7239462

SCHEMBL7239462

COC(=O)CC1CCN(C(=O)C[C@H]2O[C@H](c3cccc(OC)c3OC)c3cc(Cl)ccc3N(CC(C)(C)COC(C)=O)C2=O)CC1

nearest known ligand 0.89

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 18/20 0.89

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
SCHEMBL4113577 0.96 FDFT1 (0.88) FDFT1
Lapaquistat Acetate SCHEMBL8007641 0.94 FDFT1 (1.00) FDFT1
Lapaquistat Acetate SCHEMBL29395209 0.94 FDFT1 (1.00) FDFT1
Lapaquistat Acetate SCHEMBL12882274 0.94 FDFT1 (1.00) FDFT1
Lapaquistat Acetate SCHEMBL29379346 0.94 FDFT1 (1.00) FDFT1
Lapaquistat Acetate SCHEMBL206424 0.94 FDFT1 (1.00) FDFT1
SCHEMBL14377991 0.94 FDFT1 (0.99) FDFT1
SCHEMBL14377992 0.93 FDFT1 (0.95) FDFT1
SCHEMBL14539358 0.92 FDFT1 (0.79) FDFT1
SCHEMBL4110712 0.91 FDFT1 (0.81) FDFT1

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-6613761-B1 (3R,5S)-N- methanesulfonyl-7-chloro-5-(2,3-dimethoxyphenyl) -1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4, 1-benzoxazepine-3-acetamide, used as antilipemic agents and enzyme inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed