SCHEMBL6601007

SCHEMBL6601007

O=C1c2ccccc2CN1C1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3Oc3ccccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTTP P55157 7/20 0.51
MTR Q99707 2/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD1 P21728 1/20 0.51
TBXA2R P21731 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51
DRD3 P35462 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KCNH2 Q12809 1/20 0.51
SCN1A P35498 5/20 0.41
SCN5A Q14524 5/20 0.41
SCN9A Q15858 5/20 0.41

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 0.93 MTTP (0.58) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL6606518 0.88 MTR (0.44) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL8903324 0.88 MTTP (0.54) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL6187393 0.87 MTTP (0.50) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL6191113 0.86 MTTP (0.51) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL5863520 0.86 MTTP (0.43) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL6187970 0.85 MTTP (0.47) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL6189174 0.85 MTTP (0.49) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL5864010 0.84 MTTP (0.40) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL6187151 0.84 MTR (0.43) 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
EP-0886637-A4 1998-12-30 EP claimed
EP-0886637-A1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 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
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