SCHEMBL1584044

SCHEMBL1584044

COc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2=O)cn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.48
PIK3CA P42336 2/20 0.42
PIK3CD O00329 1/20 0.42
MAPT P10636 4/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NR1H2 P55055 2/20 0.41
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP13 P45452 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ENPP2 Q13822 2/20 0.39
SCN9A Q15858 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL29491152 0.86 MAPT (0.44) GPR119PIK3CAMAPTALDH1A1LMNA
SCHEMBL14845641 0.86 MAPT (0.48) GPR119MAPTALDH1A1LMNANR1H2
SCHEMBL255485 0.86 MAPT (0.44) GPR119PIK3CAMAPTALDH1A1LMNA
SCHEMBL29462384 0.85 POLB (0.44) GPR119MAPTALDH1A1LMNANR1H2
SCHEMBL22650785 0.85 POLB (0.44) GPR119MAPTALDH1A1LMNANR1H2
SCHEMBL29491170 0.82 MAPT (0.51) GPR119MAPTALDH1A1LMNANR1H2
SCHEMBL255156 0.82 MAPT (0.51) GPR119MAPTALDH1A1LMNANR1H2
SCHEMBL1665532 0.82 ALDH1A1 (0.53) GPR119MAPTALDH1A1LMNANR1H2
SCHEMBL2120938 0.82 GPR119 (0.64) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL30947672 0.82 GPR119 (0.64) GPR119MAPTALDH1A1LMNAMEN1

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-2011041713-A2 PIPERAZINYL ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-07 WO disclosed