SCHEMBL8483370

SCHEMBL8483370

CCCCN(CCC)C(=O)C1C(c2ccccc2)=C(N2CCC(N3Cc4ccccc4C3=O)CC2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTR Q99707 1/20 0.40
▸ SCN1A P35498 9/20 0.39
▸ SCN5A Q14524 9/20 0.39
▸ SCN9A Q15858 9/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPY1R P25929 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ AOC3 Q16853 1/20 0.36
▸ KDM5A P29375 1/20 0.34
▸ PARP2 Q9UGN5 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ F10 P00742 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 0.81 SCN1A (0.40) MTRSCN1ASCN5ASCN9ANPSR1
SCHEMBL8485591 0.79 NPY1R (0.41) MTRSCN1ASCN5ASCN9ANPSR1
SCHEMBL8666051 0.77 SCN1A (0.37) MTRSCN1ASCN5ASCN9ANPSR1
SCHEMBL8479108 0.76 MTR (0.45) MTRSCN1ASCN5ASCN9APARP2
SCHEMBL8479245 0.75 SCN1A (0.39) MTRSCN1ASCN5ASCN9ANPY1R
SCHEMBL8480404 0.74 SCN1A (0.39) MTRSCN1ASCN5ASCN9ANPSR1
SCHEMBL8483204 0.74 MTR (0.45) MTRSCN1ASCN5ASCN9ANPSR1
SCHEMBL8487923 0.73 SCN1A (0.38) MTRSCN1ASCN5ASCN9ANPY1R
SCHEMBL8503622 0.73 SCN1A (0.34) MTRSCN1ASCN5ASCN9ANPSR1
SCHEMBL8479606 0.72 SCN1A (0.37) MTRSCN1ASCN5ASCN9ANPY1R

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 3 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-H1729-H Method for preparing compounds employing solid phase synthesis and novel linker-resin BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-05 — — 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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