SCHEMBL5503570

SCHEMBL5503570

CC(C)(C)OC(=O)N1CC(CCN)(c2ccccn2)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.45
POLB P06746 1/20 0.44
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
JAK2 O60674 3/20 0.42
JAK1 P23458 3/20 0.42
GRM5 P41594 2/20 0.42
USP30 Q70CQ3 1/20 0.39
KDR P35968 1/20 0.39
DTYMK P23919 1/20 0.39
GRM1 Q13255 1/20 0.38
MAPK1 P28482 1/20 0.38
ACHE P22303 1/20 0.38
EPHX2 P34913 1/20 0.38
RORC P51449 2/20 0.38
VNN1 O95497 1/20 0.38
HSD11B1 P28845 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL25262300 0.82 GPR119 (0.49) GPR119POLBOPRD1OPRK1JAK2
SCHEMBL24392453 0.82 TACR1 (0.47) GPR119OPRD1OPRK1RORC
SCHEMBL3325436 0.81 GPR119 (0.50) GPR119POLBOPRD1OPRK1JAK2
SCHEMBL25299744 0.80 GPR119 (0.50) GPR119POLBOPRD1OPRK1JAK2
SCHEMBL3886498 0.78 GPR119 (0.46) GPR119POLBOPRD1OPRK1JAK2
SCHEMBL29535693 0.78 GPR119 (0.51) GPR119POLBOPRD1OPRK1JAK2
SCHEMBL13059786 0.78 GPR119 (0.51) GPR119POLBOPRD1OPRK1JAK2
SCHEMBL3885199 0.78 GPR119 (0.46) GPR119POLBOPRD1OPRK1JAK2
SCHEMBL5472801 0.78 GPR119 (0.51) GPR119POLBOPRD1OPRK1JAK2
SCHEMBL20493552 0.76 OPRD1 (0.52) GPR119POLBOPRD1OPRK1JAK2

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-1745018-A1 AZETIDINE GLYCINE TRANSPORTER INHIBITORS Merck & Co., Inc. (US) 2007-01-24 EP disclosed
WO-2005110983-A1 AZETIDINE GLYCINE TRANSPORTER INHIBITORS MERCK & CO., INC. (US) 2005-11-24 WO disclosed