SCHEMBL7144058

SCHEMBL7144058

NC(=O)Cc1ccc(CN2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
DRD2 P14416 2/20 0.56
SIGMAR1 Q99720 9/20 0.54
CHRM4 P08173 2/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
GAA P10253 1/20 0.52
DRD4 P21917 2/20 0.51

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
SCHEMBL7179272 0.83 MEN1 (0.68) MEN1KMT2ADRD2SIGMAR1CHRM4
SCHEMBL1002852 0.82 MEN1 (0.81) MEN1KMT2ADRD2SIGMAR1CHRM4
SCHEMBL2332535 0.81 MEN1 (0.74) MEN1KMT2ADRD2SIGMAR1CHRM4
SCHEMBL3153917 0.81 MEN1 (0.74) MEN1KMT2ADRD2SIGMAR1HDAC3
SCHEMBL8775737 0.81 MEN1 (0.74) MEN1KMT2ADRD2SIGMAR1DRD4
SCHEMBL6070072 0.81 GAA (0.70) MEN1KMT2ADRD2CHRM4HDAC3
Hydrochloric Acid SCHEMBL7985714 0.80 MEN1 (0.72) MEN1KMT2ADRD2SIGMAR1DRD4
SCHEMBL4178029 0.79 SLC18A3 (0.58) MEN1KMT2ADRD2SIGMAR1GAA
SCHEMBL28742579 0.78 HDAC1 (0.72) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL6223362 0.78 MEN1 (0.70) MEN1KMT2ADRD2SIGMAR1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355888-A1 QUINAZOLINONE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-29 EP disclosed
WO-2002048117-A1 QUINAZOLINONE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-20 WO disclosed