SCHEMBL1901736

SCHEMBL1901736

CCOC(=O)C1CCN(c2cc(Oc3ccc(CCC(C)=O)cc3)nc([N+](=O)[O-])n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.62
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.45
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 2/20 0.42
SHMT2 P34897 1/20 0.42
CTSB P07858 1/20 0.41
MEN1 O00255 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CASP6 P55212 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5260761 0.92 GPR119 (0.51) GPR119MAPTALDH1A1TP53HTT
SCHEMBL390132 0.82 GPR119 (0.68) GPR119MAPTALDH1A1TP53HTT
SCHEMBL5265032 0.80 MAPT (0.46) GPR119MAPTALDH1A1TP53HTT
SCHEMBL389195 0.79 GPR119 (0.63) GPR119MAPTALDH1A1TP53HTT
SCHEMBL390189 0.78 MAPT (0.62) GPR119MAPTALDH1A1TP53HTT
SCHEMBL389430 0.77 GPR119 (1.00) GPR119MAPTALDH1A1KMT2A
SCHEMBL387746 0.77 GPR119 (0.77) GPR119MAPTALDH1A1TP53HTT
SCHEMBL386411 0.77 GPR119 (0.77) GPR119MAPTALDH1A1TP53HTT
SCHEMBL1071586 0.76 GPR119 (0.66) GPR119MAPTALDH1A1TP53HTT
SCHEMBL5261798 0.76 MAPT (0.50) GPR119MAPTALDH1A1TP53HTT

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-2322150-A2 Method of identifying GLP-1 secretagogues Arena Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed