SCHEMBL6981257

SCHEMBL6981257

COc1nccc(CC2CCN(C(=O)OC(C)(C)C)CC2)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
GPR119 Q8TDV5 9/20 0.43
BACE1 P56817 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
SYK P43405 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SLC2A1 P11166 1/20 0.42
CHEK2 O96017 1/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 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
SCHEMBL6984087 0.78 GPR119 (0.51) FAAHGPR119KDM4EPKMSYK
SCHEMBL21607886 0.77 ALOX5AP (0.52) FAAHGPR119KDM4EPKMSLC2A1
SCHEMBL6976858 0.76 GPR119 (0.48) GPR119KDM4EPKMSYKALDH1A1
SCHEMBL7274954 0.76 GPR119 (0.51) FAAHGPR119KDM4EPKMSLC2A1
SCHEMBL4665126 0.75 GPR119 (0.52) FAAHGPR119KDM4EPKMALOX5AP
SCHEMBL18228507 0.75 GPR119 (0.53) FAAHGPR119KDM4EPKMALOX5AP
SCHEMBL4036422 0.74 GPR119 (0.54) FAAHGPR119KDM4EPKMSLC2A1
SCHEMBL6979526 0.74 POLB (0.52) FAAHGPR119KDM4EPKMSYK
SCHEMBL23119230 0.74 KDM4E (0.55) GPR119KDM4EPKMALDH1A1
SCHEMBL8601284 0.73 GPR119 (0.53) FAAHGPR119KDM4EPKMALOX5AP

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
EP-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 EP disclosed