SCHEMBL8932764

SCHEMBL8932764

CCCc1cccc2c1C(CC=CCN1CCC(N3Cc4ccccc4C3=O)CC1)(C(N)=O)c1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP2 Q9UGN5 4/20 0.41
PARP1 P09874 4/20 0.41
SCN1A P35498 9/20 0.40
SCN5A Q14524 9/20 0.40
SCN9A Q15858 9/20 0.40
MTR Q99707 1/20 0.40

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
SCHEMBL8658094 0.86 MTR (0.45) PARP2PARP1SCN1ASCN5ASCN9A
SCHEMBL6186340 0.81 MTR (0.43) PARP2SCN1ASCN5ASCN9AMTR
SCHEMBL6190749 0.81 MTR (0.43) PARP2SCN1ASCN5ASCN9AMTR
SCHEMBL6186350 0.81 MTR (0.43) PARP2SCN1ASCN5ASCN9AMTR
SCHEMBL8191068 0.73 MTR (0.48) SCN1ASCN5ASCN9AMTR
SCHEMBL8191064 0.73 MTR (0.48) SCN1ASCN5ASCN9AMTR
SCHEMBL6188446 0.72 MTR (0.49) PARP2SCN1ASCN5ASCN9AMTR
SCHEMBL8484929 0.72 MTR (0.39) PARP2PARP1SCN1ASCN5ASCN9A
SCHEMBL8484926 0.72 NPY1R (0.40) PARP2PARP1SCN1ASCN5ASCN9A
SCHEMBL8199450 0.72 MTR (0.47) SCN1ASCN5ASCN9AMTR

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
WO-1996026205-A1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-29 WO disclosed