SCHEMBL4031306

SCHEMBL4031306

Cc1ccc(CCNC(=O)[C@H]2CC[C@@H](Nc3nc(N(C)C)c4ccccc4n3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.58
ADRA2A P08913 13/20 0.58
HTR1A P08908 1/20 0.53
ADRA1A P35348 1/20 0.53
HRH1 P35367 1/20 0.53
HTR2B P41595 1/20 0.53
NPY5R Q15761 1/20 0.53
APP P05067 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
EPHX2 P34913 2/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 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
SCHEMBL4031311 1.00 MCHR1 (0.58) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4030910 0.92 MCHR1 (0.67) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4030914 0.92 MCHR1 (0.67) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4029959 0.92 MCHR1 (0.58) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4204670 0.92 MCHR1 (0.58) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4033904 0.89 MCHR1 (0.61) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4028510 0.86 MCHR1 (0.59) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4028504 0.86 MCHR1 (0.59) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4035267 0.85 MCHR1 (0.56) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4032997 0.85 MCHR1 (0.60) MCHR1ADRA2AHTR1AADRA1AHRH1

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