SCHEMBL27652159

SCHEMBL27652159

CCOC1CCN(c2ncnc(Oc3ccc(CCC(C)=O)cc3)c2[N+](=O)[O-])C(C)C1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.64
MAPT P10636 4/20 0.40
LMNA P02545 5/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ACACB O00763 3/20 0.32

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
SCHEMBL5263313 0.80 GPR119 (0.79) GPR119MAPTLMNAHPGDALDH1A1
SCHEMBL1674033 0.78 GPR119 (0.77) GPR119MAPTLMNAHPGDALDH1A1
SCHEMBL389430 0.78 GPR119 (1.00) GPR119MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL1674020 0.78 GPR119 (0.76) GPR119MAPTLMNAHPGDALDH1A1
SCHEMBL6041132 0.77 MAPT (0.39) GPR119MAPTHTTNPC1SMN1; SMN2
SCHEMBL386160 0.76 GPR119 (0.74) GPR119MAPTLMNAHPGDALDH1A1
SCHEMBL386159 0.76 GPR119 (0.73) GPR119MAPTLMNAHPGDALDH1A1
SCHEMBL1674095 0.76 GPR119 (0.73) GPR119MAPTLMNAHPGDALDH1A1
SCHEMBL388589 0.75 GPR119 (0.72) GPR119MAPTLMNAHPGDALDH1A1
SCHEMBL389482 0.75 GPR119 (0.72) GPR119MAPTLMNAHPGDALDH1A1

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
CN-1835943-A 1,2, 3-trisubstituted aryl and heteroaryl derivatives as modulators of metabolism and the prevention and treatment of diseases related thereto, such as diabetes and hyperglycemia ARENA PHARM INC (US) 2006-09-20 CN disclosed