SCHEMBL7839591

SCHEMBL7839591

CN(C)CCCNC(=O)CCc1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
POLB P06746 1/20 0.54
HPGD P15428 2/20 0.50
DNM1 Q05193 1/20 0.50
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PYGL P06737 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.45
ACKR3 P25106 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
SCHEMBL1986412 0.87 GAA (0.57) GAAPOLBHPGDDNM1KDM4E
SCHEMBL12460089 0.85 HPGD (0.51) GAAHPGDDNM1LMNAHDAC1
SCHEMBL9393524 0.84 GAA (0.54) GAAHPGDDNM1KDM4ELMNA
SCHEMBL27586244 0.83 GAA (0.53) GAAPOLBHPGDDNM1KDM4E
SCHEMBL11966140 0.82 HDAC1 (0.54) GAAPOLBHPGDDNM1HDAC1
SCHEMBL22403771 0.81 HPGD (0.54) POLBHPGD
SCHEMBL7508128 0.80 GAA (0.60) GAAPOLBHPGDKDM4ELMNA
SCHEMBL15109630 0.80 KDM4E (0.74) POLBHPGDKDM4ELMNACYP2C19
SCHEMBL13806431 0.79 POLB (0.51) POLBHPGDKDM4ELMNAHDAC1
SCHEMBL16425208 0.79 POLB (0.51) GAAPOLBHPGDKDM4ELMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1330638-A Substituted benzo [ de ] isoquinoline-1, 3-diones MERCK PATENT GMBH (DE) 2002-01-09 CN disclosed
EP-1144381-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
WO-2000032577-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-08 WO disclosed