SCHEMBL7138181

SCHEMBL7138181

Fc1ccc(-c2ncc(-c3cccc(CNCCc4ccccc4)c3)[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.49
SCN2A Q99250 6/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPY5R Q15761 2/20 0.46
BACE1 P56817 1/20 0.44
ADRA2C P18825 1/20 0.44
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL7141176 0.92 CYP1A2 (0.46) HPGDSSCN2ACYP1A2CYP3A4CYP2D6
SCHEMBL7143626 0.88 BACE1 (0.45) HPGDSSCN2ANPY5RBACE1
SCHEMBL8118487 0.87 CYP1A2 (0.41) HPGDSSCN2ACYP1A2CYP3A4CYP2D6
SCHEMBL7179734 0.85 BACE1 (0.47) HPGDSSCN2ANPY5RBACE1
SCHEMBL8110914 0.85 CYP1A2 (0.44) HPGDSSCN2ACYP1A2CYP2D6CYP2C19
SCHEMBL7140173 0.85 BACE1 (0.43) HPGDSSCN2ANPY5RBACE1
SCHEMBL7135108 0.84 CYP1A2 (0.46) HPGDSSCN2ACYP1A2CYP2D6CYP2C19
SCHEMBL7140310 0.83 HTR1A (0.44) HPGDSCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7145535 0.82 SCN2A (0.52) HPGDSSCN2ANPY5RADRA2C
SCHEMBL7138024 0.82 SSTR3 (0.47) HPGDSSCN2ANPY5RBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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