SCHEMBL6229685

SCHEMBL6229685

O=C(O)C1CCN(c2nc(Oc3ccc(C4CCCC4)cc3)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.44
POLB P06746 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 2/20 0.40
FAAH O00519 1/20 0.39
HAO1 Q9UJM8 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
USP2 O75604 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
SCHEMBL389221 0.87 GPR119 (0.51) POLBALDH1A1MAPTKMT2AMEN1
SCHEMBL5134790 0.86 RHOA (0.46) RHOAPOLBTDP1L3MBTL1CYP2C9
SCHEMBL5133026 0.83 RHOA (0.45) RHOAPOLBTDP1L3MBTL1CYP2C9
SCHEMBL4703083 0.82 GPR119 (0.39) POLBTDP1ALDH1A1MAPTKMT2A
SCHEMBL1070995 0.81 GPR119 (0.43) RHOAPOLBTDP1L3MBTL1CYP2C9
SCHEMBL2689490 0.80 TDP1 (0.52) RHOAPOLBTDP1L3MBTL1CYP2C9
SCHEMBL389244 0.80 GPR119 (0.49) POLBL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL389049 0.78 MAPT (0.42) POLBTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL14017958 0.76 MAPT (0.48) TDP1CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL4705011 0.75 GPR119 (0.38) POLBALDH1A1MAPTKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606282-A2 PHENYL- AND PYRIDYLPIPEREIDINYE-DERIVATIVES AS MODULATORS OF GLUCOSE METABOLISM Arena Pharmaceuticals, Inc. (US) 2005-12-21 EP claimed
WO-2004076413-A2 PHENYL- AND PYRIDYLPIPERIDINE-DERIVATIVES AS MODULATORS OF GLUCOSE METABOLISM ARENA PHARMACEUTICALS, INC. (US) 2004-09-10 WO claimed