SCHEMBL6187741

SCHEMBL6187741

CCCNC(=O)C1(CCCN2CCC(N3Cc4ccccc4C3=O)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTR Q99707 2/20 0.48
SCN1A P35498 10/20 0.42
SCN5A Q14524 10/20 0.42
SCN9A Q15858 10/20 0.42
MTTP P55157 2/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
PARP2 Q9UGN5 1/20 0.39
PARP1 P09874 1/20 0.38

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
SCHEMBL4208514 0.97 MTR (0.48) MTRSCN1ASCN5ASCN9AMTTP
SCHEMBL6607670 0.97 MTR (0.47) MTRSCN1ASCN5ASCN9AMTTP
SCHEMBL6600299 0.95 MTR (0.50) MTRSCN1ASCN5ASCN9APARP2
SCHEMBL6187121 0.91 MTR (0.50) MTRSCN1ASCN5ASCN9APARP2
SCHEMBL6605441 0.90 MTR (0.49) MTRSCN1ASCN5ASCN9AMTTP
SCHEMBL6606518 0.90 MTR (0.44) MTRSCN1ASCN5ASCN9AMTTP
SCHEMBL6184907 0.89 MTR (0.42) MTRSCN1ASCN5ASCN9AMTTP
SCHEMBL6186922 0.85 MTR (0.43) MTRSCN1ASCN5ASCN9AMTTP
SCHEMBL6192487 0.85 MTTP (0.47) MTRMTTPCHRM2ADRA2AADORA3
SCHEMBL6186340 0.84 MTR (0.43) MTRSCN1ASCN5ASCN9APARP2

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 13 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-B9 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2005-05-04 EP disclosed
EP-0886637-B1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-12-01 EP disclosed
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
US-6066650-A USEFUL FOR LOWERING SERUM LIPIDS AND TREATING ATHEROSCLEROSIS AND RELATED DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-23 US disclosed
US-6034098-A ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-07 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP 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
WO-1996026205-A1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-29 WO disclosed