SCHEMBL1070018

SCHEMBL1070018

CN(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cc(N(C)c2ccc(-n3cncn3)cc2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.55
S1PR1 P21453 1/20 0.43
TGFBR1 P36897 2/20 0.41
TBK1 Q9UHD2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL389197 0.86 GPR119 (0.53) GPR119S1PR1TBK1
SCHEMBL4263363 0.77 GPR119 (0.51) GPR119TBK1
SCHEMBL5889155 0.77 GPR119 (0.53) GPR119TGFBR1TBK1
SCHEMBL27747830 0.76 GPR119 (0.49) GPR119TGFBR1TBK1
SCHEMBL4721764 0.76 S1PR1 (0.45) GPR119S1PR1TBK1MEN1KMT2A
SCHEMBL389462 0.76 GPR119 (0.53) GPR119TGFBR1TBK1KMT2A
SCHEMBL27734776 0.75 GPR119 (0.48) GPR119TGFBR1TBK1
SCHEMBL388123 0.75 S1PR1 (0.48) GPR119S1PR1TBK1
SCHEMBL5603661 0.74 GPR119 (0.47) GPR119TGFBR1TBK1
SCHEMBL386691 0.74 GPR119 (0.56) 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
EP-2004157-B1 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO ARENA PHARM INC (US) 2011-01-12 EP disclosed