SCHEMBL3245221

SCHEMBL3245221

CC(C)OC(=O)N1CCC(c2cnc(NC(=O)c3ccc(-n4cncn4)cc3)s2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.47
SMN1; SMN2 Q16637 1/20 0.40
SMYD3 Q9H7B4 1/20 0.39
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
CLK2 P49760 2/20 0.38
CLK3 P49761 2/20 0.38
DYRK1A Q13627 2/20 0.38
ACKR3 P25106 1/20 0.38
GSK3B P49841 1/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ROCK1 Q13464 1/20 0.37
ROCK2 O75116 1/20 0.36

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
SCHEMBL3251903 0.90 LMNA (0.47) GPR119SMN1; SMN2
SCHEMBL3241101 0.88 GPR119 (0.59) GPR119
SCHEMBL3246751 0.87 GPR119 (0.47) GPR119SMN1; SMN2CLK2CLK3DYRK1A
SCHEMBL3119362 0.82 GPR119 (0.49) GPR119SMN1; SMN2
SCHEMBL3237101 0.80 RAB9A (0.37) GPR119SMN1; SMN2SMYD3RAB9ARXFP1
SCHEMBL3243152 0.78 GPR119 (0.49) GPR119SMN1; SMN2
SCHEMBL3238582 0.76 GPR119 (0.48) GPR119SMN1; SMN2
SCHEMBL3244500 0.74 GPR119 (0.46) GPR119SMN1; SMN2
SCHEMBL3118783 0.71 GPR119 (0.51) GPR119
SCHEMBL3130130 0.71 GPR119 (0.53) GPR119

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
WO-2010001166-A1 THIAZOLE DERIVATIVES AS GPR 119 MODULATORS PROSIDION LIMITED (GB) 2010-01-07 WO claimed