SCHEMBL4555874

SCHEMBL4555874

CC(C)(C)OC(=O)N1CCC(O)CC1.N#Cc1cccc(OC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.60
MGLL Q99685 9/20 0.50
ALK Q9UM73 1/20 0.50
EPHX2 P34913 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3605978 0.92 GPR119 (0.69) GPR119MGLLALKEPHX2
SCHEMBL15050771 0.86 GPR119 (0.64) GPR119MGLLALKEPHX2
SCHEMBL21887547 0.86 GPR119 (0.61) GPR119MGLLALKEPHX2
SCHEMBL21825159 0.86 GPR119 (0.61) GPR119MGLLALKEPHX2
SCHEMBL3605088 0.85 EPHX2 (0.59) GPR119MGLLEPHX2
SCHEMBL30324507 0.81 GPR119 (0.54) GPR119MGLLALKEPHX2
SCHEMBL14861962 0.81 GPR119 (0.54) GPR119MGLLALKEPHX2
SCHEMBL19023577 0.80 GPR119 (0.51) GPR119MGLLALKEPHX2
SCHEMBL19023579 0.80 GPR119 (0.51) GPR119MGLLALKEPHX2
SCHEMBL19023578 0.80 GPR119 (0.51) GPR119MGLLALKEPHX2

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-2121703-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008020799-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 WO disclosed