SCHEMBL1904029

SCHEMBL1904029

O=C(O)N1CCC(Oc2ncnc3c2cnn3-c2ccccc2Br)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.51
KCNH2 Q12809 3/20 0.51
CYP2C9 P11712 1/20 0.51
PIK3CD O00329 2/20 0.42
SCN5A Q14524 3/20 0.41
SCN9A Q15858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
GCK P35557 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
SCHEMBL1071250 0.84 GPR119 (0.61) GPR119KCNH2CYP2C9PIK3CDSMN1; SMN2
SCHEMBL1071139 0.81 GPR119 (0.62) GPR119KCNH2CYP2C9SCN5ASCN9A
SCHEMBL1243451 0.79 GPR119 (0.53) GPR119KCNH2CYP2C9PIK3CDSMN1; SMN2
SCHEMBL5208216 0.78 GPR119 (0.81) GPR119KCNH2CYP2C9
SCHEMBL5645093 0.77 GPR119 (0.65) GPR119KCNH2CYP2C9
SCHEMBL288589 0.77 GPR119 (0.80) GPR119KCNH2CYP2C9
SCHEMBL27747902 0.75 GPR119 (0.62) GPR119KCNH2CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL13685456 0.75 GPR119 (0.51) GPR119KCNH2CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL4325157 0.74 GPR119 (0.60) GPR119KCNH2CYP2C9
SCHEMBL5202632 0.73 GPR119 (0.49) GPR119KCNH2CYP2C9SMN1; SMN2ALDH1A1

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-2322152-A1 Method of preparing a composition comprising a GPR119 agonist Arena Pharmaceuticals, Inc. (US) 2011-05-18 EP disclosed