SCHEMBL4036605

SCHEMBL4036605

CN(C)c1nc(N[C@H]2CC[C@@H](C(=O)OCc3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.57
ADRA2A P08913 17/20 0.57
NPY5R Q15761 4/20 0.55
HTR1A P08908 1/20 0.55
ADRA1A P35348 1/20 0.55
HRH1 P35367 1/20 0.55
HTR2B P41595 1/20 0.55
APP P05067 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 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
SCHEMBL4036610 1.00 MCHR1 (0.57) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5523256 0.90 MCHR1 (0.68) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5523260 0.90 MCHR1 (0.68) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4030121 0.90 MCHR1 (0.60) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4030123 0.90 MCHR1 (0.60) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4033929 0.90 MCHR1 (0.55) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5530892 0.90 MCHR1 (0.55) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5524123 0.88 MCHR1 (0.56) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL5524116 0.88 MCHR1 (0.56) MCHR1ADRA2ANPY5RHTR1AADRA1A
SCHEMBL4031525 0.88 MCHR1 (0.56) 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