SCHEMBL4453604

SCHEMBL4453604

CC(C)N(F)S(=O)(=O)c1ccccc1Nc1cc(N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.46
TBK1 Q9UHD2 1/20 0.43
LIMK2 P53671 1/20 0.42
TGFBR1 P36897 4/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
PIK3CD O00329 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL387995 0.86 GPR119 (0.47) GPR119TBK1LIMK2TGFBR1KDM4E
SCHEMBL391649 0.83 GPR119 (0.46) GPR119TBK1LIMK2TGFBR1KDM4E
SCHEMBL390308 0.82 TBK1 (0.46) GPR119TBK1LIMK2TGFBR1
SCHEMBL1070548 0.81 TBK1 (0.44) GPR119TBK1LIMK2TGFBR1KDM4E
SCHEMBL391067 0.80 GPR119 (0.47) GPR119TBK1CYP3A4CYP2C9
SCHEMBL389112 0.80 TBK1 (0.48) GPR119TBK1CYP3A4CYP2C9
SCHEMBL390725 0.80 GPR119 (0.54) GPR119CYP3A4CYP2C9
SCHEMBL389556 0.80 CYP2C9 (0.57) GPR119CYP3A4CYP2C9
SCHEMBL391170 0.80 GPR119 (0.48) GPR119TBK1LIMK2CYP3A4CYP2C9
SCHEMBL391077 0.80 TBK1 (0.47) GPR119TBK1LIMK2TGFBR1KDM4E

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-2116235-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level Arena Pharmaceuticals, Inc. (US) 2009-11-11 EP disclosed