SCHEMBL459764

SCHEMBL459764

O=C(O)NC1CCN(c2ccc(CCn3ccnn3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.64
ME3 Q16798 1/20 0.44
SIGMAR1 Q99720 1/20 0.40
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.38
L3MBTL3 Q96JM7 6/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
MBTD1 Q05BQ5 1/20 0.37
TP53BP1 Q12888 1/20 0.37
RORC P51449 1/20 0.37
EPHX2 P34913 1/20 0.36
USP28 Q96RU2 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
SCHEMBL14119432 0.85 HPGDS (0.55) HPGDSME3SIGMAR1HTR1ADRD2
SCHEMBL457638 0.80 HPGDS (0.50) HPGDSL3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL15070464 0.80 HPGDS (0.55) HPGDSL3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL14119466 0.80 HPGDS (0.71) HPGDS
SCHEMBL14119859 0.79 HPGDS (0.60) HPGDSSIGMAR1DRD2L3MBTL1
SCHEMBL14119653 0.78 HPGDS (0.69) HPGDS
SCHEMBL460420 0.76 HPGDS (0.58) HPGDS
SCHEMBL14119996 0.74 HPGDS (0.72) HPGDS
SCHEMBL14119801 0.73 HPGDS (0.52) HPGDSSIGMAR1L3MBTL3L3MBTL1MBTD1
SCHEMBL27557817 0.72 ITGB3 (0.51) ME3SIGMAR1EPHX2

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
WO-2012033069-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS 大鵬薬品工業株式会社 (JP) 2012-03-15 WO disclosed