SCHEMBL19146302

SCHEMBL19146302

CC(C)(C)OC(=O)N1CCN(Sc2ccc(-n3cc(CC(=O)O)nn3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.50
▸ GRM1 Q13255 3/20 0.47
▸ GRM5 P41594 2/20 0.47
▸ HTT P42858 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ KDM1A O60341 7/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 1/20 0.41
▸ TUBB4B P68371 1/20 0.41
▸ TUBB3 Q13509 1/20 0.41
▸ TUBB2A Q13885 1/20 0.41
▸ TUBB8 Q3ZCM7 1/20 0.41
▸ TUBA3E Q6PEY2 1/20 0.41

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
SCHEMBL19127388 0.86 GPR119 (0.54) GPR119GRM1GRM5HTTATM
SCHEMBL19126721 0.85 GPR119 (0.58) GPR119GRM1GRM5HTTATM
SCHEMBL19126753 0.84 GPR119 (0.52) GPR119GRM1GRM5HTTATM
SCHEMBL19126554 0.83 GPR119 (0.51) GPR119GRM1GRM5HTTATM
SCHEMBL19126818 0.82 GPR119 (0.48) GPR119GRM1GRM5HTTATM
SCHEMBL19126500 0.81 GPR119 (0.49) GPR119GRM1GRM5HTTATM
SCHEMBL19145401 0.81 GPR119 (0.49) GPR119GRM1GRM5
SCHEMBL20676167 0.81 GPR119 (0.58) GPR119GRM1GRM5CA12CA1
SCHEMBL19126575 0.80 GPR119 (0.48) GPR119GRM1GRM5HTTATM
SCHEMBL19126487 0.79 EPHX2 (0.49) GPR119GRM1GRM5

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-2017121444-A1 QUINOLIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2017-07-20 — — WO disclosed
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