SCHEMBL8513291

SCHEMBL8513291

CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)ncn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.52
CACNB4 O00305 2/20 0.44
CACNA1A O00555 2/20 0.44
CACNA1G O43497 2/20 0.44
CACNG3 O60359 2/20 0.44
CACNA1F O60840 2/20 0.44
CACNA1H O95180 2/20 0.44
CACNB3 P54284 2/20 0.44
CACNA2D1 P54289 2/20 0.44
CACNG7 P62955 2/20 0.44
CACNA1B Q00975 2/20 0.44
CACNA1D Q01668 2/20 0.44
CACNB1 Q02641 2/20 0.44
CACNG1 Q06432 2/20 0.44
CACNB2 Q08289 2/20 0.44
CACNA1S Q13698 2/20 0.44
CACNA1C Q13936 2/20 0.44
CACNA1E Q15878 2/20 0.44
CACNA2D4 Q7Z3S7 2/20 0.44
CACNA2D3 Q8IZS8 2/20 0.44

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
SCHEMBL8514108 0.83 CHEK2 (0.44) GPR119TBK1PIK3CDCHEK2
SCHEMBL8515152 0.81 GPR119 (0.48) GPR119TBK1
Trifluoroacetic Acid SCHEMBL8514057 0.77 RARB (0.39)
SCHEMBL2524108 0.77 GPR119 (0.57) GPR119PIK3CD
SCHEMBL1066568 0.77 GPR119 (0.57) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL12632984 0.76 RARA (0.52) GPR119
SCHEMBL12517353 0.76 HTT (0.48) GPR119
SCHEMBL2014735 0.76 WNT3A (0.46) GPR119PIK3CA
SCHEMBL1159689 0.76 GPR119 (0.56) GPR119PIK3CD
SCHEMBL2225927 0.76 KDM5C (0.44) GPR119

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-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO disclosed