SCHEMBL497356

SCHEMBL497356

CC(C)(C)OC(=O)N1CCO[C@@H](c2ccc(OCCCN3CCCC3)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.56
KCNH2 Q12809 5/20 0.56
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
EPHX2 P34913 1/20 0.47
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL497318 0.87 GPR119 (0.45) POLB
SCHEMBL497698 0.86 HRH3 (0.63) HRH3KCNH2CYP3A4CYP2C9POLB
SCHEMBL28767928 0.82 POLB (0.43) CYP3A4CYP2C9POLB
SCHEMBL29067319 0.79 GPR119 (0.48) MAPT
SCHEMBL497161 0.79 USP2 (0.46) MAPTKDM4E
SCHEMBL323889 0.79 USP2 (0.46) MAPTKDM4E
SCHEMBL1438341 0.78 ALDH1A1 (0.43) POLB
SCHEMBL503546 0.78 NR1H2 (0.45) MAPT
SCHEMBL1993504 0.78 RORC (0.49)
SCHEMBL503531 0.78 RORC (0.49)

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
US-8106045-B2 2-morpholino-4-pyrimidone compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-01-31 US disclosed