SCHEMBL7142086

SCHEMBL7142086

CC(C)(C)NCc1cccc(-c2cnc(-c3ccccc3)[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 8/20 0.55
NPY5R Q15761 3/20 0.54
HPGDS O60760 5/20 0.48
DHODH Q02127 1/20 0.44
CNR2 P34972 3/20 0.44
CNR1 P21554 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
SCHEMBL7142281 0.90 SCN2A (0.47) SCN2ANPY5RHPGDSDHODHCNR2
SCHEMBL7138117 0.90 SCN2A (0.50) SCN2ANPY5RHPGDSCNR2CNR1
SCHEMBL7142374 0.88 SCN2A (0.58) SCN2ANPY5RHPGDSCNR2CNR1
SCHEMBL7138233 0.84 SCN2A (0.55) SCN2ANPY5RHPGDSCNR2CNR1
SCHEMBL7145532 0.83 SCN2A (0.53) SCN2ANPY5RHPGDSCNR2CNR1
SCHEMBL7145535 0.82 SCN2A (0.52) SCN2ANPY5RHPGDSCNR2CNR1
SCHEMBL19198972 0.82 SCN2A (0.62) SCN2ANPY5RHPGDSCNR2CNR1
SCHEMBL7140718 0.81 SCN2A (0.51) SCN2ANPY5RHPGDSCNR2CNR1
SCHEMBL8189931 0.80 SCN2A (0.50) SCN2ANPY5RHPGDSCNR2CNR1
SCHEMBL8189930 0.80 SCN2A (0.50) SCN2ANPY5RHPGDSCNR2CNR1

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-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