SCHEMBL4033904

SCHEMBL4033904

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.61
ADRA2A P08913 14/20 0.61
NPY5R Q15761 2/20 0.49
HTR1A P08908 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49
HTR2B P41595 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
APP P05067 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
EPHX2 P34913 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4031306 0.89 MCHR1 (0.58) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4031311 0.89 MCHR1 (0.58) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4030914 0.88 MCHR1 (0.67) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4030910 0.88 MCHR1 (0.67) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795265 0.84 MCHR1 (0.59) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794629 0.83 MCHR1 (0.63) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL14606982 0.83 MCHR1 (0.59) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13794333 0.83 MCHR1 (0.57) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL13795465 0.83 MCHR1 (0.58) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5525885 0.82 MCHR1 (0.60) 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