SCHEMBL6526705

SCHEMBL6526705

CC(C)(C)OC(=O)N1CCN(c2cnccn2)C(O)C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.61
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 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
SCHEMBL17884743 0.89 GPR119 (0.60) GPR119
SCHEMBL7061216 0.88 GPR119 (0.58) GPR119KDM4E
SCHEMBL21360407 0.86 GPR119 (0.56) GPR119
SCHEMBL12964697 0.81 GPR119 (0.79) GPR119KDM4E
SCHEMBL19991694 0.77 GPR119 (0.62) GPR119KDM4E
SCHEMBL19991692 0.77 GPR119 (0.62) GPR119KDM4E
SCHEMBL19991693 0.77 GPR119 (0.62) GPR119KDM4E
SCHEMBL3486839 0.76 GPR119 (1.00) GPR119KDM4E
SCHEMBL6371332 0.75 GPR119 (0.47) GPR119
SCHEMBL9143759 0.75 HDAC1 (0.52) GPR119KDM4E

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
EP-1608373-A2 TIE-2 MODULATORS AND METHODS OF USE Exelixis Inc. (US) 2005-12-28 EP disclosed
EP-1581343-A1 TANDEM TETRAMERISATION-POLYMERISATION OF OLEFINS Sasol Technology (PTY) Limited (ZA) 2005-10-05 EP disclosed
WO-2004083235-A2 TIE-2 MODULATORS AND METHODS OF USE EXELIXIS INC. (US) 2004-09-30 WO disclosed
WO-2004056480-A1 TANDEM TETRAMERISATION-POLYMERISATION OF OLEFINS SASOL TECHNOLOGY (PTY) LIMITED (ZA) 2004-07-08 WO disclosed