SCHEMBL4301470

SCHEMBL4301470

O=C1[N]c2cc(Cl)c(C3CCNCC3)cc2N1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HTR1A P08908 5/20 0.33
SLC6A2 P23975 5/20 0.33
SLC6A4 P31645 5/20 0.33
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
PLG P00747 2/20 0.33
PLAT P00750 2/20 0.33
SLC6A3 Q01959 3/20 0.33
HTR6 P50406 2/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2C P28335 1/20 0.31
KCNH2 Q12809 1/20 0.31
CHEK1 O14757 1/20 0.31

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
SCHEMBL6160094 0.83 TLR9 (0.36) MAPTTHRBHTR1ASLC6A2SLC6A4
SCHEMBL788535 0.74 QDPR (0.45) MAPTTHRBHTR6HTR2C
SCHEMBL4959377 0.71 MAPKAPK2 (0.36) MAPTTHRBGABRA1GABRG2GABRB3
SCHEMBL6204472 0.66 MPO (0.35) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4301980 0.66 GABRA1 (0.34) MAPTTHRBHTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5720133 0.63 HPGD (0.40) KMT2A
SCHEMBL3385674 0.63 SLC6A2 (0.52) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL4303824 0.63 TNKS (0.37) MAPTTHRBGABRA1GABRG2GABRB3
SCHEMBL4960528 0.63 HTR2C (0.39) MAPTTHRBGABRA1GABRG2GABRB3
SCHEMBL7367981 0.63 GRIN2D (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3644995-A1 DEUTERATED DOMPERIDONE COMPOSITIONS, METHODS, AND PREPARATION CinDome Pharma, Inc. (US) 2020-05-06 EP disclosed
WO-2019006078-A1 DEUTERATED DOMPERIDONE COMPOSITIONS, METHODS, AND PREPARATION CINRX PHARMA, LLC (US) 2019-01-03 WO disclosed
WO-2009124882-A1 NOVEL PIPERIDINYL-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-10-15 WO disclosed
WO-2009124883-A1 NOVEL 1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-10-15 WO disclosed
EP-2032142-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-11 EP disclosed
WO-2007147109-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed
EP-1866311-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-19 EP disclosed
WO-2006104889-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-10-05 WO disclosed
EP-1451173-A4 PIPERIDINES ICAGEN INC (US) 2005-10-26 EP disclosed
EP-1451173-A2 PIPERIDINES Icagen, Inc. (US) 2004-09-01 EP disclosed
EP-1373248-A1 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS AstraZeneca AB (SE) 2004-01-02 EP disclosed
WO-2003037890-A2 PIPERIDINES ICAGEN, INC. (US) 2003-05-08 WO disclosed
WO-2002074763-A9 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002074763-A1 BENZIMIDAZOL DERIVATIVES MODULATE CHEMOKINE RECEPTORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed