SCHEMBL6958425

SCHEMBL6958425

CC(C)(C)CN1C(=O)C(CC(=O)Nc2ccc(C#N)cc2)OC(c2ccccc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 16/20 0.48
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL6958421 1.00 FDFT1 (0.48) FDFT1HTTNPSR1
SCHEMBL6958432 1.00 FDFT1 (0.48) FDFT1HTTNPSR1
SCHEMBL6955037 0.92 FDFT1 (0.48) FDFT1
SCHEMBL6955035 0.92 FDFT1 (0.48) FDFT1
SCHEMBL6955033 0.92 FDFT1 (0.48) FDFT1
Acetic Acid SCHEMBL6956851 0.90 FDFT1 (0.52) FDFT1
SCHEMBL6962009 0.89 FDFT1 (0.51) FDFT1
SCHEMBL6962016 0.89 FDFT1 (0.51) FDFT1
SCHEMBL6963107 0.86 FDFT1 (0.54) FDFT1
SCHEMBL6963109 0.86 FDFT1 (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567026-B1 4,1-Benzoxazepin derivatives as squalene synthase inhibitors and their use in the treatment of hypercholesteremia and as fungicides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-26 EP disclosed
US-5885979-A SQUALENE SYNTHETASE INHIBITOR TREATING OR PREVENTING HYPERLIPIDEMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-23 US disclosed
US-5726306-A INHIBITORS OF SQUALENE SYNTHETASE AND FUNGAL GROWTH; USEFUL IN TREATING AND PREVENTING HYPERLIPIDEMIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-10 US disclosed
EP-0567026-A1 4,1-Benzoxazepin derivatives as squalene synthase inhibitors and their use in the treatment of hypercholesteremia and as fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 EP disclosed