SCHEMBL6187393

SCHEMBL6187393

O=C1c2ccccc2CN1C1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3cc(F)ccc3-c3ccc(F)cc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTTP P55157 5/20 0.50
MTR Q99707 2/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD1 P21728 1/20 0.50
TBXA2R P21731 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
SCN1A P35498 6/20 0.42
SCN5A Q14524 6/20 0.42
SCN9A Q15858 6/20 0.42
CCR3 P51677 1/20 0.39
RORC P51449 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
SCHEMBL6187526 0.92 MTTP (0.58) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL8203821 0.88 MTTP (0.53) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL8903324 0.87 MTTP (0.54) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL6601007 0.87 MTTP (0.51) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL6189174 0.86 MTTP (0.49) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL6191113 0.86 MTTP (0.51) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL8207058 0.85 SCN1A (0.43) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL8207052 0.85 SCN1A (0.43) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL6187970 0.83 MTTP (0.47) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL8905065 0.81 MTTP (0.47) MTTPMTRCHRM2ADRA2AADORA3

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 7 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
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-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
WO-1996026205-A1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-29 WO disclosed