SCHEMBL7213829

SCHEMBL7213829

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.49
GRM5 P41594 2/20 0.46
RORC P51449 1/20 0.46
USP30 Q70CQ3 2/20 0.45
POLB P06746 1/20 0.43
GRM1 Q13255 1/20 0.41
NAMPT P43490 1/20 0.41
DPP4 P27487 1/20 0.41
PDE4B Q07343 1/20 0.39
RIPK1 Q13546 1/20 0.39
MAPK1 P28482 1/20 0.39
PDE10A Q9Y233 2/20 0.39

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
SCHEMBL7213823 1.00 GPR119 (0.49) GPR119GRM5RORCUSP30POLB
SCHEMBL7213834 1.00 GPR119 (0.49) GPR119GRM5RORCUSP30POLB
SCHEMBL7214770 0.84 GPR119 (0.48) GPR119GRM5RORCUSP30POLB
SCHEMBL7214766 0.84 GPR119 (0.48) GPR119GRM5RORCUSP30POLB
SCHEMBL7214765 0.84 GPR119 (0.48) GPR119GRM5RORCUSP30POLB
SCHEMBL2998444 0.83 GPR119 (0.54) GPR119GRM5RORCUSP30POLB
SCHEMBL31228209 0.83 GPR119 (0.54) GPR119GRM5RORCUSP30POLB
SCHEMBL1972088 0.81 RORC (0.42) GRM5RORCUSP30POLBGRM1
SCHEMBL5158725 0.81 GPR119 (0.56) GPR119GRM5USP30POLB
SCHEMBL5157060 0.81 GPR119 (0.56) GPR119GRM5USP30POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 EP disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 WO disclosed