SCHEMBL8200345

SCHEMBL8200345

C[C@H](NCC[C@@H]1CCc2cc(OCc3ccccc3-c3ccccc3)ccc2[C@@H]1O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 16/20 0.47
SCN3A Q9NY46 1/20 0.38
PPARA Q07869 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
SCHEMBL8203679 1.00 CD274 (0.47) CD274SCN3APPARA
SCHEMBL8203683 1.00 CD274 (0.47) CD274SCN3APPARA
SCHEMBL8200349 1.00 CD274 (0.47) CD274SCN3APPARA
SCHEMBL8203686 1.00 CD274 (0.47) CD274SCN3APPARA
SCHEMBL8204179 1.00 CD274 (0.47) CD274SCN3APPARA
SCHEMBL8204174 1.00 CD274 (0.47) CD274SCN3APPARA
SCHEMBL8200352 1.00 CD274 (0.47) CD274SCN3APPARA
SCHEMBL8202272 0.78 USP2 (0.46)
SCHEMBL8202278 0.78 USP2 (0.46)
SCHEMBL8202280 0.78 USP2 (0.46)

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
WO-1998036749-A1 TETRALONE DERIVATIVES AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-27 WO claimed
US-6048877-A Tetralone derivatives as antiarrhythmic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-11 US disclosed