SCHEMBL8479606

SCHEMBL8479606

CCCCN(CC(F)(F)C(F)(F)C(F)(F)F)C(=O)C1c2ccccc2-c2cccc(N3CCC(N4Cc5ccccc5C4=O)CC3)c21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 12/20 0.37
▸ SCN5A Q14524 12/20 0.37
▸ SCN9A Q15858 12/20 0.37
▸ AOC3 Q16853 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ MTR Q99707 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ C5AR1 P21730 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL8666693 0.96 SCN1A (0.35) SCN1ASCN5ASCN9AAOC3NPY1R
SCHEMBL8487923 0.96 SCN1A (0.38) SCN1ASCN5ASCN9AAOC3NPY1R
SCHEMBL8503790 0.93 SCN1A (0.32) SCN1ASCN5ASCN9AMTR
SCHEMBL8479245 0.93 SCN1A (0.39) SCN1ASCN5ASCN9AAOC3NPY1R
SCHEMBL8664246 0.91 SCN1A (0.35) SCN1ASCN5ASCN9AAOC3NPY1R
SCHEMBL8664320 0.88 SCN1A (0.36) SCN1ASCN5ASCN9AAOC3NPY1R
SCHEMBL8503698 0.88 SCN1A (0.33) SCN1ASCN5ASCN9AMTRC5AR1
SCHEMBL8485591 0.85 NPY1R (0.41) SCN1ASCN5ASCN9AAOC3NPY1R
SCHEMBL8502228 0.85 SCN1A (0.33) SCN1ASCN5ASCN9AAOC3MTR
SCHEMBL8627055 0.84 ALDH1A1 (0.34) MEN1KMT2A

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
US-5883099-A TREATMENT OF ATHERSCLEROSIS, PANCREATITIS OBESITY OR HYPERGLYCEMIA BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-16 — — US disclosed
US-5739135-A PREVENTING OR TREATING ATHEROSCLEROSIS, PANCREATITIS SECONDARY TO HYPERTRIGLYCERIDEMIA, HYPERGLYCEMIA, OBESITY BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-14 — — US disclosed
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