SCHEMBL4017370

SCHEMBL4017370

Cn1c(CCC(C)(N)COP(=O)(OCC(C)(N)CCc2ccc(C(=O)CCCc3cccc(C(F)(F)F)c3)n2C)OCC(C)(N)CCc2ccc(C(=O)CCCc3cccc(C(F)(F)F)c3)n2C)ccc1C(=O)CCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.62
S1PR3 Q99500 6/20 0.62
S1PR5 Q9H228 1/20 0.62
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
ACP3 P15309 1/20 0.34
NR3C2 P08235 1/20 0.34
GAA P10253 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
AURKA O14965 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL4017372 0.94 S1PR1 (0.71) S1PR1S1PR3S1PR5MAPTKMT2A
SCHEMBL386642 0.92 S1PR1 (0.67) S1PR1S1PR3S1PR5MAPTKMT2A
SCHEMBL4015779 0.89 S1PR1 (0.71) S1PR1S1PR3S1PR5HDAC1HDAC8
SCHEMBL383311 0.87 S1PR1 (0.51) S1PR1S1PR3S1PR5MAPTKMT2A
SCHEMBL383528 0.85 S1PR1 (0.48) S1PR1S1PR3S1PR5MAPTKMT2A
SCHEMBL385439 0.84 S1PR1 (0.51) S1PR1S1PR3S1PR5MAPTKMT2A
SCHEMBL4016195 0.84 S1PR1 (0.71) S1PR1S1PR3S1PR5
SCHEMBL4019428 0.84 S1PR1 (0.73) S1PR1S1PR3S1PR5
SCHEMBL4015784 0.83 S1PR1 (0.81) S1PR1S1PR3S1PR5
SCHEMBL4015886 0.81 S1PR1 (0.72) S1PR1S1PR3S1PR5

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-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP claimed