SCHEMBL6954458

SCHEMBL6954458

CC(C(=O)O)C1OC(c2ccccc2Cl)c2cc(Cl)ccc2N(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 9/20 0.39
OPRK1 P41145 2/20 0.39
PDE4D Q08499 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
LMNA P02545 1/20 0.38
PDE3A Q14432 1/20 0.38
HTR2B P41595 1/20 0.37
HRH2 P25021 1/20 0.34
RIPK1 Q13546 1/20 0.33

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
SCHEMBL6954782 0.86 FDFT1 (0.42) FDFT1
SCHEMBL6961886 0.84 FDFT1 (0.46) FDFT1
SCHEMBL6953662 0.80 FDFT1 (0.52) FDFT1
SCHEMBL6953652 0.80 FDFT1 (0.52) FDFT1
SCHEMBL6953659 0.80 FDFT1 (0.52) FDFT1
SCHEMBL6954451 0.78 FDFT1 (0.43) FDFT1
SCHEMBL6956337 0.77 FDFT1 (0.39) FDFT1
SCHEMBL8501073 0.74 OPRK1 (0.38) FDFT1OPRK1PDE4DCHRM2ADRA2A
SCHEMBL8501068 0.74 OPRK1 (0.38) FDFT1OPRK1PDE4DCHRM2ADRA2A
SCHEMBL6952331 0.74 ALDH1A1 (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