SCHEMBL4030910

SCHEMBL4030910

CN(C)c1nc(N[C@H]2CC[C@@H](C(=O)NCCc3ccc(F)cc3)CC2)nc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.67
ADRA2A P08913 14/20 0.67
NPY5R Q15761 2/20 0.56
HTR1A P08908 1/20 0.56
ADRA1A P35348 1/20 0.56
HRH1 P35367 1/20 0.56
HTR2B P41595 1/20 0.56
APP P05067 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
CTNNB1 P35222 1/20 0.47
TCF7L2 Q9NQB0 1/20 0.47
EPHX2 P34913 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL4030914 1.00 MCHR1 (0.67) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4031306 0.92 MCHR1 (0.58) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4031311 0.92 MCHR1 (0.58) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4033904 0.88 MCHR1 (0.61) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794935 0.86 MCHR1 (0.66) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4028504 0.85 MCHR1 (0.59) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4028510 0.85 MCHR1 (0.59) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4035267 0.85 MCHR1 (0.56) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795404 0.84 MCHR1 (0.65) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4029444 0.84 MCHR1 (0.66) 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