SCHEMBL6954253

SCHEMBL6954253

O=C(O)CNC(=O)NC[C@@H]1O[C@@H](c2ccccc2Cl)c2cc(Cl)ccc2N(Cc2ccccc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 12/20 0.49
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39

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
SCHEMBL6954251 1.00 FDFT1 (0.49) FDFT1CACNA1GCACNA1HCACNA1I
SCHEMBL6963816 0.90 FDFT1 (0.49) FDFT1
SCHEMBL6963799 0.90 FDFT1 (0.49) FDFT1
SCHEMBL6958021 0.89 FDFT1 (0.61) FDFT1
SCHEMBL6963774 0.87 FDFT1 (0.52) FDFT1
SCHEMBL6958453 0.85 FDFT1 (0.57) FDFT1
SCHEMBL6958463 0.85 FDFT1 (0.57) FDFT1
SCHEMBL6958455 0.85 FDFT1 (0.57) FDFT1
SCHEMBL6954779 0.83 FDFT1 (0.47) FDFT1
SCHEMBL6955271 0.83 FDFT1 (0.47) 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