SCHEMBL6601696

SCHEMBL6601696

O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)C1CC1c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTTP P55157 9/20 0.64
CHRM2 P08172 1/20 0.64
ADRA2A P08913 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CHRM1 P11229 1/20 0.64
DRD1 P21728 1/20 0.64
TBXA2R P21731 1/20 0.64
PTGS1 P23219 1/20 0.64
SLC6A2 P23975 1/20 0.64
ADRA1A P35348 1/20 0.64
OPRM1 P35372 1/20 0.64
DRD3 P35462 1/20 0.64
SLC6A3 Q01959 1/20 0.64
KCNH2 Q12809 1/20 0.64
MTR Q99707 1/20 0.64
HPGD P15428 1/20 0.43
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL6601698 1.00 MTTP (0.64) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6603573 0.92 MTTP (0.64) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6603579 0.92 MTTP (0.64) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6187290 0.85 MTTP (0.77) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6186864 0.83 MTTP (0.67) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6186516 0.83 MTTP (0.66) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL16312430 0.83 MTTP (0.65) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL14155287 0.81 MTTP (0.66) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL18952686 0.81 MTTP (0.66) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL17729933 0.81 MTTP (0.65) 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-B1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-12-01 EP disclosed
EP-0886637-A4 1998-12-30 EP disclosed
EP-0886637-A1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1998-12-30 EP disclosed