SCHEMBL4029366

SCHEMBL4029366

CC(C)C[C@H](NC(=O)NC[C@H]1CC[C@@H](Nc2nc(N(C)C)c3ccccc3n2)CC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.53
ADRA2A P08913 16/20 0.53
NPY5R Q15761 7/20 0.53
HTR1A P08908 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL4029361 1.00 MCHR1 (0.53) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4029377 1.00 MCHR1 (0.53) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5530254 0.91 MCHR1 (0.52) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5530257 0.91 MCHR1 (0.52) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5530248 0.91 MCHR1 (0.52) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4032547 0.87 MCHR1 (0.55) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5524285 0.87 MCHR1 (0.55) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5519177 0.86 MCHR1 (0.56) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5519170 0.86 MCHR1 (0.56) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4036949 0.84 MCHR1 (0.52) 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