SCHEMBL8895668

SCHEMBL8895668

O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccc(F)cc3-c3cc(F)ccc32)C1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTTP P55157 6/20 0.59
ADRA1A P35348 2/20 0.59
CHRM2 P08172 1/20 0.59
ADRA2A P08913 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM1 P11229 1/20 0.59
DRD1 P21728 1/20 0.59
TBXA2R P21731 1/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
OPRM1 P35372 1/20 0.59
DRD3 P35462 1/20 0.59
SLC6A3 Q01959 1/20 0.59
KCNH2 Q12809 1/20 0.59
MTR Q99707 1/20 0.59
CCR3 P51677 2/20 0.46
MCHR1 Q99705 2/20 0.46
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
HTR7 P34969 3/20 0.44

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
SCHEMBL6187020 0.95 MTTP (0.65) MTTPADRA1ACHRM2ADRA2AADORA3
SCHEMBL6187290 0.86 MTTP (0.77) MTTPADRA1ACHRM2ADRA2AADORA3
SCHEMBL8897758 0.85 MTTP (0.49) MTTPADRA1ACHRM2ADRA2AADORA3
SCHEMBL8891504 0.84 MTTP (0.67) MTTPADRA1ACHRM2ADRA2AADORA3
SCHEMBL6188622 0.83 MTTP (0.62) MTTPADRA1ACHRM2ADRA2AADORA3
SCHEMBL8891745 0.83 MTTP (0.66) MTTPADRA1ACHRM2ADRA2AADORA3
SCHEMBL6605335 0.81 MTTP (0.72) MTTPADRA1ACHRM2ADRA2AADORA3
SCHEMBL6187055 0.80 MTTP (0.64) MTTPADRA1ACHRM2ADRA2AADORA3
SCHEMBL8895351 0.80 MTTP (0.66) MTTPADRA1ACHRM2ADRA2AADORA3
SCHEMBL8898374 0.80 MTTP (0.66) MTTPADRA1ACHRM2ADRA2AADORA3

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