SCHEMBL29880972

SCHEMBL29880972

CCCOC(=O)C1=CN(C(=O)c2ccc(F)cc2)C(C)Cc2c1[nH]c1cc(F)ccc21

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 15/20 0.59
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
MDH2 P40926 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
CCR3 P51677 1/20 0.35
HTR7 P34969 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL274815 1.00 NR1H4 (0.59) NR1H4CCNB2CDK1CCNB1MDH2
SCHEMBL274266 0.93 NR1H4 (0.52) NR1H4CCNB2CDK1CCNB1MDH2
SCHEMBL29881127 0.92 NR1H4 (0.70) NR1H4CCNB2CDK1CCNB1MDH2
SCHEMBL273732 0.92 NR1H4 (0.70) NR1H4CCNB2CDK1CCNB1MDH2
SCHEMBL274556 0.84 NR1H4 (0.69) NR1H4ELANE
SCHEMBL274940 0.84 NR1H4 (0.58) NR1H4CCNB2CDK1CCNB1MDH2
SCHEMBL13703282 0.83 NR1H4 (0.59) NR1H4ELANE
SCHEMBL273241 0.83 NR1H4 (0.85) NR1H4
SCHEMBL274615 0.83 NR1H4 (0.58) NR1H4CCNB2CDK1CCNB1MDH2
SCHEMBL275430 0.82 NR1H4 (0.57) NR1H4

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
CN-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed