SCHEMBL6600299

SCHEMBL6600299

CCCNC(=O)C1(CCN2CCC(N3Cc4ccccc4C3=O)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTR Q99707 1/20 0.50
SCN1A P35498 10/20 0.44
SCN5A Q14524 10/20 0.44
SCN9A Q15858 10/20 0.44
KDM5A P29375 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP1 P09874 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL6187741 0.95 MTR (0.48) MTRSCN1ASCN5ASCN9APARP2
SCHEMBL4208514 0.94 MTR (0.48) MTRSCN1ASCN5ASCN9APARP2
SCHEMBL6607670 0.93 MTR (0.47) MTRSCN1ASCN5ASCN9APARP2
SCHEMBL6187121 0.93 MTR (0.50) MTRSCN1ASCN5ASCN9AKDM5A
SCHEMBL6606518 0.87 MTR (0.44) MTRSCN1ASCN5ASCN9AGAA
SCHEMBL6605441 0.86 MTR (0.49) MTRSCN1ASCN5ASCN9APARP2
SCHEMBL6186350 0.86 MTR (0.43) MTRSCN1ASCN5ASCN9APARP2
SCHEMBL6190749 0.86 MTR (0.43) MTRSCN1ASCN5ASCN9APARP2
SCHEMBL6186340 0.86 MTR (0.43) MTRSCN1ASCN5ASCN9APARP2
SCHEMBL6184907 0.86 MTR (0.42) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6034098-A ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-07 US claimed
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
WO-1996026205-A1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-29 WO claimed
EP-0886637-B1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-12-01 EP disclosed
US-6034098-A ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-07 US disclosed
EP-0886637-A1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1998-12-30 EP disclosed
EP-0886637-A4 1998-12-30 EP disclosed