SCHEMBL4353724

SCHEMBL4353724

COc1cccc(CNC(=O)NS[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.51
ADRA2A P08913 17/20 0.51
NPY5R Q15761 4/20 0.45
HTR1A P08908 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
HTR2B P41595 1/20 0.45
APP P05067 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL4034121 0.87 MCHR1 (0.53) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4205287 0.87 MCHR1 (0.53) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794879 0.84 MCHR1 (0.60) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4033728 0.84 MCHR1 (0.53) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4033734 0.84 MCHR1 (0.53) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13793390 0.83 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795816 0.83 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4033890 0.82 MCHR1 (0.52) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4033886 0.82 MCHR1 (0.52) MCHR1ADRA2ANPY5RHTR1AADRA1A
Trifluoroacetic Acid SCHEMBL3938784 0.81 MCHR1 (0.62) MCHR1ADRA2ANPY5RHTR1AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP disclosed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP disclosed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 WO disclosed