SCHEMBL4706887

SCHEMBL4706887

CCOC(=O)OC1CCN(c2nc(Oc3ccc(C(N)=O)cc3)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
GPR119 Q8TDV5 7/20 0.40
CTPS1 P17812 1/20 0.39
CTSB P07858 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP10 Q53GL7 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4705110 0.90 MAPT (0.40) MAPTTP53HTTGPR119CTSB
SCHEMBL4706555 0.89 GPR119 (0.44) MAPTTP53HTTGPR119CTSB
SCHEMBL4704968 0.88 GPR119 (0.54) MAPTTP53HTTGPR119CTSB
SCHEMBL4703671 0.88 GPR119 (0.40) MAPTHTTGPR119CTSBSMN1; SMN2
SCHEMBL389089 0.88 MAPT (0.61) MAPTTP53HTTGPR119CTSB
SCHEMBL4703083 0.87 GPR119 (0.39) MAPTHTTGPR119CTSBKMT2A
SCHEMBL4705333 0.86 MAPT (0.40) MAPTTP53HTTGPR119CTSB
SCHEMBL4705303 0.86 GPR119 (0.53) MAPTTP53HTTGPR119CTSB
SCHEMBL4704377 0.86 GPR119 (0.42) MAPTHTTGPR119CTSBKMT2A
SCHEMBL4704876 0.86 GPR119 (0.43) MAPTTP53HTTGPR119CTSB

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-1606282-B1 PHENYL- AND PYRIDYLPIPEREIDINYE-DERIVATIVES AS MODULATORS OF GLUCOSE METABOLISM ARENA PHARM INC (US) 2008-11-12 EP claimed