SCHEMBL8503706

SCHEMBL8503706

CCCCc1cccc2c1C(C(=O)N(CC(F)(F)C(F)(F)F)N1CC(N3Cc4ccccc4C3=O)C1)c1ccccc1-2

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 4/20 0.31
▸ SCN5A Q14524 4/20 0.31
▸ SCN9A Q15858 4/20 0.31
▸ AOC3 Q16853 1/20 0.31
▸ MTR Q99707 1/20 0.30

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
SCHEMBL8503796 0.95 AOC3 (0.30) SCN1ASCN5ASCN9AAOC3
SCHEMBL8664250 0.94 SCN1A (0.34) SCN1ASCN5ASCN9AAOC3MTR
SCHEMBL8502235 0.94 AOC3 (0.32) SCN1ASCN5ASCN9AAOC3MTR
SCHEMBL8487928 0.93 SCN1A (0.36) SCN1ASCN5ASCN9AAOC3MTR
SCHEMBL8666702 0.90 SCN1A (0.33) SCN1ASCN5ASCN9AAOC3MTR
SCHEMBL8479611 0.88 SCN1A (0.35) SCN1ASCN5ASCN9AAOC3MTR
SCHEMBL8664326 0.88 MTR (0.35) SCN1ASCN5ASCN9AAOC3MTR
SCHEMBL8479247 0.86 SCN1A (0.37) SCN1ASCN5ASCN9AAOC3MTR
SCHEMBL8503698 0.79 SCN1A (0.33) SCN1ASCN5ASCN9AMTR
SCHEMBL8503795 0.78 OPRK1 (0.31) —

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-5885983-A ANTICHOLESTEROL AGENTS, ANTILIPOLYTIC AGENTS, ANTILIPEMIC AGENTS FOR TREATING HYPERLIPEMIA, ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-23 — — US disclosed
Send feedback