SCHEMBL8595907

SCHEMBL8595907

CCCc1cccc2c1C(C(=O)CCCN1CCC(N3Cc4ccccc4C3=O)CC1)c1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTR Q99707 1/20 0.46
▸ SCN1A P35498 10/20 0.41
▸ SCN5A Q14524 10/20 0.41
▸ SCN9A Q15858 10/20 0.41
▸ PARP1 P09874 3/20 0.39
▸ PARP2 Q9UGN5 3/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ AOC3 Q16853 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37

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
SCHEMBL8485599 0.80 MTR (0.38) MTRSCN1ASCN5ASCN9APARP1
SCHEMBL8479247 0.75 SCN1A (0.37) MTRSCN1ASCN5ASCN9APARP1
SCHEMBL8485591 0.74 NPY1R (0.41) MTRSCN1ASCN5ASCN9APARP1
SCHEMBL8658094 0.74 MTR (0.45) MTRSCN1ASCN5ASCN9APARP1
SCHEMBL8487928 0.74 SCN1A (0.36) MTRSCN1ASCN5ASCN9APARP1
SCHEMBL8479611 0.72 SCN1A (0.35) MTRSCN1ASCN5ASCN9APARP1
SCHEMBL6186498 0.72 MTR (0.51) MTRSCN1ASCN5ASCN9APARP1
SCHEMBL8664326 0.72 MTR (0.35) MTRSCN1ASCN5ASCN9APARP1
SCHEMBL8485593 0.71 NPY1R (0.40) MTRSCN1ASCN5ASCN9ANPY1R
SCHEMBL8502235 0.71 AOC3 (0.32) MTRSCN1ASCN5ASCN9APARP1

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
EP-0886637-A1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1998-12-30 — — EP claimed
EP-0886637-A4 — — 1998-12-30 — — EP claimed
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