SCHEMBL3650784

SCHEMBL3650784

O=C(c1ccc2c(c1)CCN([C@@H]1CCN(C3CCC3)C1)C2)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.52
L3MBTL3 Q96JM7 12/20 0.51
L3MBTL1 Q9Y468 11/20 0.51
KDM2B Q8NHM5 3/20 0.49
MBTD1 Q05BQ5 4/20 0.48
TP53BP1 Q12888 2/20 0.48
L3MBTL4 Q8NA19 1/20 0.48
ADRA1A P35348 2/20 0.46

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
SCHEMBL4528427 0.92 HRH3 (0.56) HRH3L3MBTL3L3MBTL1KDM2BMBTD1
SCHEMBL4529106 0.89 HRH3 (0.53) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL4432948 0.86 L3MBTL3 (0.55) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL1789789 0.85 HRH3 (0.65) HRH3L3MBTL3L3MBTL1KDM2BMBTD1
SCHEMBL4431692 0.85 L3MBTL3 (0.55) HRH3L3MBTL3L3MBTL1KDM2BMBTD1
SCHEMBL4430354 0.84 L3MBTL3 (0.56) HRH3L3MBTL3L3MBTL1KDM2BMBTD1
SCHEMBL4516209 0.84 ADRA1A (0.55) HRH3L3MBTL3L3MBTL1KDM2BADRA1A
SCHEMBL1787573 0.83 HRH3 (0.62) HRH3L3MBTL3L3MBTL1KDM2BMBTD1
SCHEMBL4518141 0.81 ADRA1A (0.55) HRH3L3MBTL3L3MBTL1KDM2BADRA1A
SCHEMBL4439314 0.81 HRH3 (0.49) HRH3L3MBTL3L3MBTL1KDM2BMBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200998-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2010-06-30 EP claimed
WO-2009036117-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-19 WO claimed
EP-2200998-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2010-06-30 EP disclosed
WO-2009036117-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-19 WO disclosed