SCHEMBL4037606

SCHEMBL4037606

CN(C)c1nc(N[C@H]2CC[C@@H](NC(=S)NCCc3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.59
MCHR1 Q99705 14/20 0.59
ADRA2A P08913 13/20 0.59
HTR1A P08908 1/20 0.56
ADRA1A P35348 1/20 0.56
HRH1 P35367 1/20 0.56
HTR2B P41595 1/20 0.56
NPY5R Q15761 1/20 0.56
APP P05067 1/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
ALOX12 P18054 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL4032495 0.94 MCHR1 (0.59) KMT2AMEN1MAPTMCHR1ADRA2A
SCHEMBL4032498 0.94 MCHR1 (0.59) KMT2AMEN1MAPTMCHR1ADRA2A
SCHEMBL5526129 0.93 MCHR1 (0.56) KMT2AMEN1MAPTMCHR1ADRA2A
SCHEMBL5526121 0.93 MCHR1 (0.56) KMT2AMEN1MAPTMCHR1ADRA2A
SCHEMBL4033164 0.90 MCHR1 (0.61) KMT2AMEN1MAPTMCHR1ADRA2A
SCHEMBL4033160 0.90 MCHR1 (0.61) KMT2AMEN1MAPTMCHR1ADRA2A
SCHEMBL4033718 0.88 MCHR1 (0.64) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4033722 0.88 MCHR1 (0.64) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL4033900 0.88 MCHR1 (0.67) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL5534702 0.88 MCHR1 (0.67) 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