SCHEMBL8485591

SCHEMBL8485591

CCCN(CCC)C(=O)C1c2ccccc2-c2cccc(N3CCC(N4Cc5ccccc5C4=O)CC3)c21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ MTR Q99707 1/20 0.41
▸ AOC3 Q16853 1/20 0.39
▸ SCN1A P35498 8/20 0.39
▸ SCN5A Q14524 8/20 0.39
▸ SCN9A Q15858 8/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ PARP2 Q9UGN5 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM5A P29375 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8479245 0.88 SCN1A (0.39) NPY1RNPY5RMTRAOC3SCN1A
SCHEMBL8487923 0.86 SCN1A (0.38) NPY1RNPY5RMTRAOC3SCN1A
SCHEMBL8479606 0.85 SCN1A (0.37) NPY1RNPY5RMTRAOC3SCN1A
SCHEMBL8485120 0.84 TSHR (0.36) NPSR1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL8664320 0.83 SCN1A (0.36) NPY1RNPY5RMTRAOC3SCN1A
SCHEMBL8675063 0.83 L3MBTL1 (0.42) NPSR1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL8664246 0.82 SCN1A (0.35) NPY1RNPY5RMTRAOC3SCN1A
SCHEMBL8666693 0.81 SCN1A (0.35) NPY1RNPY5RMTRAOC3SCN1A
SCHEMBL8668070 0.81 MEN1 (0.35) NPSR1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL8483204 0.80 MTR (0.45) NPY1RNPY5RMTRSCN1ASCN5A

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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