SCHEMBL8666051

SCHEMBL8666051

CCCCN(CC(F)(F)F)C(=O)C1C(C)=C(N2CCC(N3Cc4ccccc4C3=O)C2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 11/20 0.37
▸ SCN5A Q14524 11/20 0.37
▸ SCN9A Q15858 11/20 0.37
▸ MTR Q99707 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ AOC3 Q16853 1/20 0.34
▸ C5AR1 P21730 3/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8484683 0.95 SCN1A (0.40) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL8503622 0.94 SCN1A (0.34) SCN1ASCN5ASCN9AMTRKDM5A
SCHEMBL8664320 0.87 SCN1A (0.36) SCN1ASCN5ASCN9AMTRKDM5A
SCHEMBL8666036 0.87 SCN1A (0.37) SCN1ASCN5ASCN9AMTRKDM5A
SCHEMBL8479245 0.84 SCN1A (0.39) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL8480404 0.83 SCN1A (0.39) SCN1ASCN5ASCN9AMTRKDM5A
SCHEMBL8502228 0.82 SCN1A (0.33) SCN1ASCN5ASCN9AMTRKDM5A
SCHEMBL8503019 0.82 SCN1A (0.34) SCN1ASCN5ASCN9AMTRKDM5A
SCHEMBL8664246 0.81 SCN1A (0.35) SCN1ASCN5ASCN9AMTRKDM5A
SCHEMBL8666693 0.80 SCN1A (0.35) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5827875-A PYRROLIDINE DERIVATIVES; ANTIATHEROSCLEROSIS AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 — — US disclosed
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