SCHEMBL8485599

SCHEMBL8485599

CCCc1cccc2c1C(C(=O)N(CCC)N1CCC(N3Cc4ccccc4C3=O)CC1)c1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MTR Q99707 1/20 0.38
▸ SCN1A P35498 10/20 0.37
▸ SCN5A Q14524 10/20 0.37
▸ SCN9A Q15858 10/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ AOC3 Q16853 1/20 0.36
▸ PARP1 P09874 2/20 0.36
▸ PARP2 Q9UGN5 2/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ KDM5A P29375 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
SCHEMBL8479247 0.86 SCN1A (0.37) MTRSCN1ASCN5ASCN9AAOC3
SCHEMBL8487928 0.84 SCN1A (0.36) MTRSCN1ASCN5ASCN9AAOC3
SCHEMBL8485124 0.84 OPRK1 (0.33) —
SCHEMBL8479611 0.83 SCN1A (0.35) MTRSCN1ASCN5ASCN9AAOC3
SCHEMBL8485150 0.82 L3MBTL1 (0.41) GAANPSR1
SCHEMBL8664326 0.81 MTR (0.35) MTRSCN1ASCN5ASCN9AAOC3
SCHEMBL8668077 0.81 OPRK1 (0.32) —
SCHEMBL8664250 0.80 SCN1A (0.34) MTRSCN1ASCN5ASCN9AAOC3
SCHEMBL8595907 0.80 MTR (0.46) MTRSCN1ASCN5ASCN9AAOC3
SCHEMBL8485591 0.79 NPY1R (0.41) MTRSCN1ASCN5ASCN9AGAA

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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