SCHEMBL6192946

SCHEMBL6192946

O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTTP P55157 13/20 0.78
CHRM2 P08172 1/20 0.78
ADRA2A P08913 1/20 0.78
ADORA3 P0DMS8 1/20 0.78
CHRM1 P11229 1/20 0.78
DRD1 P21728 1/20 0.78
TBXA2R P21731 1/20 0.78
PTGS1 P23219 1/20 0.78
SLC6A2 P23975 1/20 0.78
ADRA1A P35348 1/20 0.78
OPRM1 P35372 1/20 0.78
DRD3 P35462 1/20 0.78
SLC6A3 Q01959 1/20 0.78
KCNH2 Q12809 1/20 0.78
MTR Q99707 1/20 0.78
CRHR1 P34998 5/20 0.47

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
SCHEMBL6601117 0.92 MTTP (0.79) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6600438 0.92 MTTP (0.79) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6186640 0.90 MTTP (0.84) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6600443 0.88 MTTP (0.86) MTTPCHRM2ADRA2AADORA3CHRM1
Lomitapide SCHEMBL304604 0.88 MTTP (1.00) MTTPCHRM2ADRA2AADORA3CHRM1
Lomitapide SCHEMBL29355521 0.88 MTTP (1.00) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL1395278 0.86 MTTP (0.80) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6600705 0.86 MTTP (0.72) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6187290 0.85 MTTP (0.77) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6207909 0.85 MTTP (0.70) MTTPCHRM2ADRA2AADORA3CHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

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