SCHEMBL30388671

SCHEMBL30388671

CC(C)(C)OC(=O)N1CCC(Oc2ccc(OCc3ccccc3N)nc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.50
NEK2 P51955 1/20 0.48
CACNB4 O00305 1/20 0.46
CACNA1A O00555 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNG3 O60359 1/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNB3 P54284 1/20 0.46
CACNA2D1 P54289 1/20 0.46
CACNG7 P62955 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNB1 Q02641 1/20 0.46
CACNG1 Q06432 1/20 0.46
CACNB2 Q08289 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
CACNA1E Q15878 1/20 0.46
CACNA2D4 Q7Z3S7 1/20 0.46

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
SCHEMBL17574299 1.00 GPR119 (0.50) GPR119NEK2CACNB4CACNA1ACACNA1G
SCHEMBL17554458 0.88 GPR119 (0.56) GPR119NEK2CACNB4CACNA1ACACNA1G
SCHEMBL30389108 0.88 GPR119 (0.56) GPR119NEK2CACNB4CACNA1ACACNA1G
SCHEMBL19327867 0.86 LIPE (0.45) GPR119LIPE
SCHEMBL17560028 0.86 GPR119 (0.49) GPR119NEK2CACNB4CACNA1ACACNA1G
SCHEMBL17560092 0.84 LIPE (0.40) LIPE
SCHEMBL17554365 0.84 KDM1A (0.48) GPR119NEK2CACNB4CACNA1ACACNA1G
SCHEMBL19022896 0.81 GPR119 (0.55) GPR119CHEK2
SCHEMBL19023504 0.81 GPR119 (0.59) GPR119CHEK2
SCHEMBL29419894 0.81 GPR119 (0.59) GPR119CHEK2

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-3189059-B1 THIENOPYRROLES AS HISTONE DEMETHYLASE INHIBITORS ST EUROPEO DI ONCOLOGIA S R L (IT) 2023-02-22 EP disclosed