SCHEMBL8909272

SCHEMBL8909272

CC(C)(C)OC(=O)NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3cc(F)ccc3-c3ccc(F)cc32)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTTP P55157 6/20 0.49
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
MTR Q99707 1/20 0.49
NPY5R Q15761 3/20 0.39
HRH2 P25021 4/20 0.39
HRH1 P35367 4/20 0.39
KDM4D Q6B0I6 3/20 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
SCHEMBL6186639 0.95 MTTP (0.54) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL8897758 0.94 MTTP (0.49) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL8891458 0.94 MTTP (0.45) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6185588 0.89 MTTP (0.54) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL8892889 0.87 MTTP (0.45) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL8891462 0.86 MTTP (0.42) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL18952686 0.85 MTTP (0.66) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL8895013 0.84 MTTP (0.51) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL8909280 0.84 MTTP (0.41) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL18971761 0.84 MTTP (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997043257-A1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1997-11-20 WO disclosed