SCHEMBL7145535

SCHEMBL7145535

CCCNCc1cccc(-c2cnc(-c3ccccc3)[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 8/20 0.52
NPY5R Q15761 3/20 0.51
HPGDS O60760 5/20 0.46
ADRA2C P18825 1/20 0.45
VSIR Q9H7M9 2/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL8189931 0.93 SCN2A (0.50) SCN2ANPY5RHPGDSADRA2CVSIR
SCHEMBL7140600 0.92 SCN2A (0.52) SCN2ANPY5RHPGDSADRA2CVSIR
SCHEMBL7143456 0.91 SCN2A (0.51) SCN2ANPY5RHPGDSADRA2CVSIR
SCHEMBL7143626 0.91 BACE1 (0.45) SCN2ANPY5RHPGDSCNR1CNR2
SCHEMBL7138233 0.90 SCN2A (0.55) SCN2ANPY5RHPGDSADRA2CCNR1
SCHEMBL7142374 0.85 SCN2A (0.58) SCN2ANPY5RHPGDSCNR1CNR2
SCHEMBL7143472 0.83 SCN2A (0.48) SCN2ANPY5RHPGDSADRA2CCNR1
SCHEMBL8110914 0.83 CYP1A2 (0.44) SCN2ANPY5RHPGDSCNR1CNR2
SCHEMBL19198972 0.83 SCN2A (0.62) SCN2ANPY5RHPGDSCNR1CNR2
SCHEMBL7138181 0.82 HPGDS (0.49) SCN2ANPY5RHPGDSADRA2C

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
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
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-6121260-A Method of treating conditions susceptible to modulation of NPY receptors with diarylimidazole derivatives NEUROGEN CORPORATION (US) 2000-09-19 US disclosed