SCHEMBL31044580

SCHEMBL31044580

CC(=O)c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.50
GABRA5 P31644 2/20 0.42
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNG3 O60359 1/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNB3 P54284 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNG7 P62955 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNG1 Q06432 1/20 0.42
CACNB2 Q08289 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
CACNA1E Q15878 1/20 0.42
CACNA2D4 Q7Z3S7 1/20 0.42

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
SCHEMBL30102016 0.88 GPR119 (0.64) GPR119HRH3
SCHEMBL1372747 0.88 GPR119 (0.64) GPR119HRH3
SCHEMBL24214214 0.88 GPR119 (0.48) GPR119GABRA5CACNB4CACNA1ACACNA1G
SCHEMBL31401120 0.84 DGAT1 (0.57) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15525341 0.84 DGAT1 (0.57) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3398165 0.84 GPR119 (0.51) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL28418487 0.84 FAAH (0.54) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL14861989 0.84 GPR119 (0.51) GPR119CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL31312638 0.82 LIPE (0.51) GPR119HRH3
SCHEMBL13216270 0.81 GPR119 (0.48) GPR119CACNB4CACNA1ACACNA1GCACNG3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285873-B RET inhibitor, pharmaceutical composition thereof and application thereof 广东东阳光药业股份有限公司 2024-10-15 CN disclosed
CN-111285874-B RET inhibitor, pharmaceutical composition thereof and application thereof 广东东阳光药业股份有限公司 2024-08-09 CN disclosed