SCHEMBL8484683

SCHEMBL8484683

CCCCN(CC(F)(F)F)C(=O)C1C(C)=C(N2CCC(N3Cc4ccccc4C3=O)CC2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 13/20 0.40
▸ SCN5A Q14524 13/20 0.40
▸ SCN9A Q15858 13/20 0.40
▸ MTR Q99707 1/20 0.37
▸ AOC3 Q16853 1/20 0.37
▸ NPY1R P25929 1/20 0.36
▸ NPY5R Q15761 1/20 0.36
▸ F10 P00742 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL8666051 0.95 SCN1A (0.37) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL8503622 0.92 SCN1A (0.34) SCN1ASCN5ASCN9AMTRGAA
SCHEMBL8479245 0.87 SCN1A (0.39) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL8480404 0.86 SCN1A (0.39) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL8664320 0.84 SCN1A (0.36) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL8666036 0.83 SCN1A (0.37) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL8483370 0.81 MTR (0.40) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL8487923 0.81 SCN1A (0.38) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL8479385 0.80 DPP4 (0.38) SCN1ASCN5ASCN9AAOC3NPY1R
SCHEMBL8502228 0.80 SCN1A (0.33) SCN1ASCN5ASCN9AMTRAOC3

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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