SCHEMBL29386147

SCHEMBL29386147

CNC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 5/20 0.42
ESR2 Q92731 1/20 0.39
ADORA1 P30542 1/20 0.39
NR1H2 P55055 1/20 0.39
EP300 Q09472 6/20 0.38
CREBBP Q92793 6/20 0.38
GAA P10253 1/20 0.38
BRD4 O60885 1/20 0.38
NAMPT P43490 1/20 0.38
MAPK1 P28482 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36

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
SCHEMBL14520683 0.86 ESR2 (0.41) RBP4ESR2ADORA1NR1H2EP300
SCHEMBL4792110 0.86 ADORA1 (0.46) RBP4ESR2ADORA1NR1H2EP300
SCHEMBL4795587 0.86 NPC1 (0.48) RBP4GAAMAPK1PARP1
SCHEMBL25430237 0.85 ADORA1 (0.43) RBP4ESR2ADORA1NR1H2EP300
SCHEMBL17870544 0.85 RBP4 (0.40) RBP4ESR2ADORA1NR1H2EP300
SCHEMBL17878107 0.84 MAPK1 (0.42) RBP4ESR2ADORA1NR1H2EP300
SCHEMBL5465401 0.84 KDM4E (0.47) RBP4GAANAMPT
SCHEMBL22482006 0.83 RBP4 (0.41) RBP4EP300CREBBPGAABRD4
SCHEMBL22482203 0.83 CDK5 (0.44) RBP4GAANAMPT
SCHEMBL17870541 0.82 RBP4 (0.39) RBP4ESR2ADORA1NR1H2EP300

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-114057739-A Diazepinone derivatives and their use in the treatment of hepatitis b infections 诺维拉治疗公司 2022-02-18 CN disclosed