SCHEMBL2170069

SCHEMBL2170069

NC(=O)CCc1ccc(Sc2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
AOC2 O75106 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
AOC3 Q16853 1/20 0.44
TAAR1 Q96RJ0 1/20 0.42
CAPN1 P07384 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41
IDO1 P14902 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL2466699 0.89 FFAR1 (0.55) FFAR1SLC5A1SLC5A2AOC2MAOA
SCHEMBL27988046 0.84 MAOB (0.55) FFAR1SLC5A1SLC5A2AOC2MAOA
SCHEMBL10925185 0.82 CA2 (0.52) LMNAIDO1MEN1CYP1A2CYP2C9
SCHEMBL7011662 0.82 FFAR1 (0.67) FFAR1SLC5A1SLC5A2PLAAT3PLAAT5
SCHEMBL4846241 0.81 LMNA (0.54) FFAR1SLC5A1SLC5A2AOC2MAOA
SCHEMBL658360 0.80 LMNA (0.54) FFAR1SLC5A1SLC5A2AOC2MAOA
SCHEMBL2170992 0.79 FFAR1 (0.53) FFAR1SLC5A1SLC5A2AOC2MAOA
SCHEMBL1478337 0.78 NAAA (0.51) FFAR1SLC5A1SLC5A2TAAR1LMNA
SCHEMBL15672830 0.78 ALDH1A1 (0.48) FFAR1SLC5A1SLC5A2AOC2MAOA
SCHEMBL31577212 0.77 NAAA (0.50) FFAR1TAAR1LMNAMPO

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
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed