SCHEMBL4976110

SCHEMBL4976110

CCC(C)COc1ccccc1.OBO

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.59
LMNA P02545 1/20 0.58
GPR88 Q9GZN0 5/20 0.49
MAOA P21397 1/20 0.49
PTGS1 P23219 1/20 0.49
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
CYP2D6 P10635 2/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.46
SCN4A P35499 2/20 0.43

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
SCHEMBL28294103 0.92 FFAR1 (0.61) FFAR1LMNAGPR88MAOAPTGS1
SCHEMBL2500159 0.92 FFAR1 (0.61) FFAR1LMNAGPR88MAOAPTGS1
Anisole SCHEMBL28132815 0.85 FFAR1 (0.55) FFAR1LMNAGPR88MAOAPTGS1
SCHEMBL13385106 0.82 LMNA (0.68) FFAR1LMNAMAOAPTGS1MTNR1A
SCHEMBL17138170 0.79 GPBAR1 (0.60) FFAR1LMNAMTNR1AMTNR1BADRB2
SCHEMBL18969804 0.79 LMNA (0.64) FFAR1LMNAGPR88MAOAPTGS1
SCHEMBL96351 0.79 LMNA (0.64) FFAR1LMNAGPR88MAOAPTGS1
SCHEMBL31032827 0.79 LMNA (0.64) FFAR1LMNAGPR88MAOAPTGS1
SCHEMBL6937523 0.77 FFAR1 (0.54) FFAR1LMNAGPR88PTGS1ADRB2
SCHEMBL8912305 0.77 FFAR1 (0.54) FFAR1LMNAGPR88PTGS1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979331-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
EP-1979341-A1 TRISUBSTITUTED AMINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
WO-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed