SCHEMBL17202095

SCHEMBL17202095

[CH2]CCNCc1ccc(OCCCCCCCCC)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.68
CNR1 P21554 3/20 0.44
CNR2 P34972 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
S1PR5 Q9H228 2/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTR1B P28222 2/20 0.40
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
S1PR2 O95136 2/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
LPAR2 Q9HBW0 2/20 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
SCHEMBL17202118 1.00 SLC2A1 (0.68) SLC2A1CNR1CNR2KMT2AMEN1
SCHEMBL1853927 0.82 SLC2A1 (0.65) SLC2A1KMT2AMEN1HTTCYP2C9
SCHEMBL17213943 0.82 SLC2A1 (0.68) SLC2A1CNR1CNR2KMT2AMEN1
SCHEMBL17201991 0.81 SLC2A1 (0.70) SLC2A1S1PR5S1PR2S1PR1S1PR3
SCHEMBL14195656 0.81 SLC2A1 (0.70) SLC2A1S1PR5S1PR2S1PR1S1PR3
SCHEMBL17202209 0.81 SLC2A1 (0.70) SLC2A1S1PR5S1PR2S1PR1S1PR3
SCHEMBL17214323 0.80 SLC2A1 (0.69) SLC2A1CNR1CNR2KMT2AMEN1
SCHEMBL17214329 0.80 SLC2A1 (0.69) SLC2A1CNR1CNR2KMT2AMEN1
SCHEMBL1854400 0.79 SLC2A1 (0.57) SLC2A1KMT2AS1PR5HTR1BS1PR2
SCHEMBL23271675 0.78 CNR1 (0.61) SLC2A1CNR1CNR2KMT2AMEN1

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-2015163936-A1 BICYCLIC DERIVATIVES AS SPHINGOSINE-1 -PHOSPHATE RECEPTORS MODULATORS ALLERGAN, INC. (US) 2015-10-29 WO disclosed