SCHEMBL22950853

SCHEMBL22950853

CC(C)(C)OC(=O)N1CC=CC1CON

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.35
CTSK P43235 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR1H2 P55055 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ATM Q13315 2/20 0.31

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
SCHEMBL17137102 0.85 ALDH1A1 (0.35) PREPCTSKLMNANPSR1CYP1A2
SCHEMBL24909113 0.85 ALDH1A1 (0.35) PREPCTSKLMNANPSR1CYP1A2
SCHEMBL17137099 0.85 ALDH1A1 (0.35) PREPCTSKLMNANPSR1CYP1A2
SCHEMBL2227084 0.83 NR1H2 (0.42) PREPCTSKLMNANPSR1NR1H2
SCHEMBL1639634 0.83 NR1H2 (0.42) PREPCTSKLMNANPSR1NR1H2
SCHEMBL24821656 0.83 NR1H2 (0.42) PREPCTSKLMNANPSR1NR1H2
SCHEMBL4049132 0.82 PREP (0.35) PREPCTSKLMNANPSR1NR1H2
SCHEMBL4049137 0.82 PREP (0.35) PREPCTSKLMNANPSR1NR1H2
SCHEMBL4041548 0.82 HSD11B1 (0.33) PREPCTSKLMNANPSR1NR1H2
SCHEMBL4041543 0.82 HSD11B1 (0.33) PREPCTSKLMNANPSR1NR1H2

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
WO-2022161448-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-08-04 WO disclosed
EP-4003355-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-06-01 EP disclosed
CN-114173787-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 杨森科学爱尔兰无限公司 2022-03-11 CN disclosed
WO-2021018237-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-02-04 WO disclosed