SCHEMBL7141999

SCHEMBL7141999

N#Cc1cccc(-c2c[nH]c(-c3ccccc3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.51
XDH P47989 1/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRA3 P34903 2/20 0.49
GABRA1 P14867 1/20 0.49
ADORA2A P29274 3/20 0.48
ADORA1 P30542 3/20 0.48
ALDH1A3 P47895 1/20 0.47
CLK4 Q9HAZ1 2/20 0.46
PIN1 Q13526 1/20 0.46
MAOB P27338 2/20 0.45
ADORA2B P29275 2/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
ATR Q13535 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 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
SCHEMBL27544569 0.95 GABRG2 (0.51) IDO1XDHGABRG2GABRB3GABRA5
SCHEMBL7143474 0.88 GABRG2 (0.53) IDO1XDHGABRG2GABRB3GABRA5
SCHEMBL8118629 0.88 GABRG2 (0.51) IDO1XDHGABRG2GABRB3GABRA5
SCHEMBL7810052 0.87 IDO1 (0.46) IDO1XDHGABRG2GABRB3GABRA5
SCHEMBL7143959 0.86 MAPK13 (0.48) IDO1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1303702 0.86 MAPK13 (0.48) IDO1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17279780 0.83 MEN1 (0.43) ADORA2AADORA1ALDH1A1CYP1A2CYP2C19
SCHEMBL7809837 0.81 PTGDR (0.48) IDO1ADORA2AADORA1CLK4PIN1
SCHEMBL8299041 0.79 IDO1 (0.53) IDO1XDHGABRG2GABRB3GABRA5
SCHEMBL19471325 0.79 XDH (0.65) IDO1XDHADORA2AADORA1CLK4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6515133-B1 Certain diaryl imidazoles act as partial agonists or antagonists for NPY receptors, in particular NPY 5 receptors. They are of use, for example in treating loss of appetite. Such compounds bear aryl groups in the 2 position. NEUROGEN CORPORATION 2003-02-04 US claimed
CN-1265033-A Certain diarylimidaozle derivatives, new class of NPY speific ligands NEUROGEN CORP (US) 2000-08-30 CN claimed
EP-0996443-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-05-03 EP claimed
WO-1999001128-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-14 WO claimed
US-6515133-B1 Certain diaryl imidazoles act as partial agonists or antagonists for NPY receptors, in particular NPY 5 receptors. They are of use, for example in treating loss of appetite. Such compounds bear aryl groups in the 2 position. NEUROGEN CORPORATION 2003-02-04 US disclosed
US-6121260-A Method of treating conditions susceptible to modulation of NPY receptors with diarylimidazole derivatives NEUROGEN CORPORATION (US) 2000-09-19 US disclosed
CN-1265033-A Certain diarylimidaozle derivatives, new class of NPY speific ligands NEUROGEN CORP (US) 2000-08-30 CN disclosed
EP-0996443-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-05-03 EP disclosed
WO-1999001128-A1 CERTAIN DIARYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF NPY SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-01-14 WO disclosed