SCHEMBL4234650

SCHEMBL4234650

CC1CC(=O)NNC1c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.53
CHEK2 O96017 1/20 0.47
ALK Q9UM73 1/20 0.45
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
PDE4B Q07343 1/20 0.42
USP30 Q70CQ3 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL2366104 0.80 GPR119 (0.64) GPR119CHEK2DDB1CRBNALDH1A1
SCHEMBL29223447 0.77 CRBN (0.62) GPR119CHEK2DDB1CRBNHRH3
SCHEMBL2735422 0.77 GPR119 (0.67) GPR119CHEK2ALDH1A1HRH3USP30
SCHEMBL74203 0.77 GPR119 (0.67) GPR119CHEK2ALDH1A1HRH3PDE4B
SCHEMBL264162 0.77 GPR119 (0.67) GPR119CHEK2ALDH1A1HRH3USP30
SCHEMBL12533230 0.77 GPR119 (0.67) GPR119CHEK2ALDH1A1PDE4B
SCHEMBL23373231 0.76 GPR119 (0.63) GPR119CHEK2ALDH1A1HRH3PDE4B
SCHEMBL2951108 0.76 GPR119 (0.63) GPR119CHEK2ALDH1A1HRH3USP30
SCHEMBL2793124 0.76 GPR119 (0.65) GPR119CHEK2ALDH1A1HRH3
SCHEMBL2366151 0.76 GPR119 (0.65) GPR119CHEK2ALDH1A1HRH3PDE4B

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-2069312-A2 PYRIDIZINONE DERIVATIVES Cephalon, Inc. (US) 2009-06-17 EP disclosed
WO-2008013838-A2 PYRIDIZINONE DERIVATIVES CEPHALON, INC. (US) 2008-01-31 WO disclosed