SCHEMBL8484688

SCHEMBL8484688

CCCCC1(C(=O)N(CC(F)(F)F)N2CCC(N3Cc4ccccc4C3=O)CC2)C(C)=Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 13/20 0.36
SCN5A Q14524 13/20 0.36
SCN9A Q15858 13/20 0.36
MTR Q99707 1/20 0.35
AOC3 Q16853 1/20 0.32
KDM5A P29375 1/20 0.32
MCHR1 Q99705 1/20 0.31
F10 P00742 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL8666056 0.96 MTR (0.34) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL8503629 0.92 MTR (0.31) SCN1ASCN5ASCN9AMTR
SCHEMBL8480406 0.84 SCN1A (0.36) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL8483380 0.81 MTR (0.37) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL8666044 0.80 MTR (0.35) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL8717828 0.77 MTTP (0.41) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL8503024 0.76 AOC3 (0.32) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL6187970 0.76 MTTP (0.47) SCN1ASCN5ASCN9AMTR
SCHEMBL8484923 0.76 MTR (0.42) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL8666040 0.74 MTTP (0.40) SCN1ASCN5ASCN9AMTRKDM5A

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