SCHEMBL5501903

SCHEMBL5501903

O=C1c2ccc(-c3ccccc3)cc2CN1C1NC2CCC1CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.41
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
IKZF1 Q13422 1/20 0.39
CYP2C9 P11712 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
XBP1 P17861 1/20 0.37
PTBP1 P26599 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
GALK1 P51570 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL5499885 0.88 HRH3 (0.41) HRH3CTSCCRBNCLK4
SCHEMBL5507588 0.86 CYP11B1 (0.50) TDP2CYP2C9
SCHEMBL5504364 0.80 CRBN (0.39) NPC1HTTRAB9AKMT2ACRBN
SCHEMBL5503804 0.79 CDK4 (0.40) PARP10PARP11IKZF1CRBN
SCHEMBL27791700 0.77 PARP1 (0.45) TDP2PARP10PARP11HRH3IKZF1
SCHEMBL4079052 0.77 HTR3A (0.52) ADRA1AHRH1
SCHEMBL25123250 0.73 CRBN (0.71) IKZF1CRBNCSNK1A1
SCHEMBL23561093 0.72 CRBN (0.47) TDP2PARP10PARP11HRH3IKZF1
SCHEMBL23561092 0.72 IKZF1 (0.44) TDP2PARP10PARP11HRH3IKZF1
SCHEMBL28625588 0.71 NPC1 (0.65) TDP2PARP10PARP11HRH3ADRA1A

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-1737854-A1 NOVEL 2-(1-AZA-BICYCLO[2.2.2]OCT-3-yl)-2,3-DIHYDROISOINDOL-l-ONE/5,6-DIHYDRO-FURO[2,3-c]PYRROL-4ONE DERIVATIVES LIGANDS FOR ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AstraZeneca AB (SE) 2007-01-03 EP claimed
WO-2005100351-A1 NOVEL 2-(1-AZA-BICYCLO[2.2.2]OCT-3-yl)-2,3-DIHYDROISOINDOL-l-ONE/5,6-DIHYDRO-FURO[2,3-c]PYRROL-4ONE DERIVATIVES LIGANDS FOR ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ASTRAZENECA AB (SE) 2005-10-27 WO claimed