SCHEMBL2832935

SCHEMBL2832935

NC(CO)(CO)CN1CCc2cc(OCc3ccc(-c4ccccc4C(F)(F)F)cc3)ccc2C1.NC(CO)(CO)CN1CCc2cc(OCc3cccc(F)c3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.45
WDR77 Q9BQA1 3/20 0.45
CARM1 Q86X55 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
CD274 Q9NZQ7 1/20 0.41
S1PR1 P21453 2/20 0.40
FFAR1 O14842 2/20 0.40
HRH3 Q9Y5N1 3/20 0.39
CYP2D6 P10635 1/20 0.39
HRH1 P35367 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
S1PR3 Q99500 1/20 0.37
REV1 Q9UBZ9 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL566699 0.94 PRMT5 (0.48) PRMT5WDR77CARM1ITGB3ITGA2B
SCHEMBL565890 0.88 CARM1 (0.46) PRMT5WDR77CARM1ITGB3ITGA2B
SCHEMBL566650 0.82 CARM1 (0.58) PRMT5WDR77CARM1ITGB3ITGA2B
SCHEMBL3507700 0.72 ITGB3 (0.57) CARM1ITGB3ITGA2BCD274S1PR1
SCHEMBL2182632 0.71 S1PR1 (0.55) PRMT5WDR77CARM1ITGB3ITGA2B
SCHEMBL4423589 0.71 ITGB3 (0.51) PRMT5WDR77CARM1ITGB3ITGA2B
SCHEMBL564883 0.70 CD274 (0.45) PRMT5WDR77CARM1ITGB3ITGA2B
SCHEMBL2179759 0.69 S1PR1 (0.53) PRMT5WDR77CARM1ITGB3ITGA2B
SCHEMBL3502972 0.68 MAOB (0.54) ITGB3ITGA2BHRH3CYP2D6HRH1
SCHEMBL13980737 0.68 S1PR1 (0.53) PRMT5WDR77ITGB3ITGA2BCD274

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-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO claimed