SCHEMBL25827214

SCHEMBL25827214

CC(C)(C)OC(=O)N1CCCCN(c2ccc(N)cc2)CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
THRB P10828 1/20 0.51
ALOX15 P16050 1/20 0.51
RECQL P46063 1/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL3194630 0.94 MAPT (0.61) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL55667 0.91 MAPT (0.67) GPR119MAPTALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL4934215 0.90 MAPT (0.65) GPR119MAPTALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL7371653 0.90 MAPT (0.65) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL10036433 0.85 GPR119 (0.79) GPR119MAPTALDH1A1LMNAHTT
SCHEMBL21946732 0.85 MAPK1 (0.54) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL5573222 0.83 MAPT (0.76) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL25845751 0.83 GPR119 (0.64) GPR119MAPTALDH1A1LMNAHTT
SCHEMBL21855169 0.82 CYP3A4 (0.52) GPR119MAPTALDH1A1LMNAUSP2
SCHEMBL17149554 0.82 NR1H2 (0.46) 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-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed