SCHEMBL7140600

SCHEMBL7140600

CCCCCNCc1cccc(-c2cnc(-c3ccccc3)[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 5/20 0.52
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPY5R Q15761 2/20 0.48
HPGDS O60760 3/20 0.43
ADRA2C P18825 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
VSIR Q9H7M9 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL7143456 0.99 SCN2A (0.51) SCN2ACYP1A2CYP2D6CYP2C19NPY5R
SCHEMBL8189931 0.96 SCN2A (0.50) SCN2ACYP1A2CYP2D6CYP2C19NPY5R
SCHEMBL7145535 0.92 SCN2A (0.52) SCN2ANPY5RHPGDSADRA2CCNR1
SCHEMBL8110914 0.91 CYP1A2 (0.44) SCN2ACYP1A2CYP2D6CYP2C19NPY5R
SCHEMBL7135108 0.90 CYP1A2 (0.46) SCN2ACYP1A2CYP2D6CYP2C19NPY5R
SCHEMBL7138233 0.87 SCN2A (0.55) SCN2ANPY5RHPGDSADRA2CCNR1
SCHEMBL8118487 0.85 CYP1A2 (0.41) SCN2ACYP1A2CYP2D6CYP2C19HPGDS
SCHEMBL7143626 0.83 BACE1 (0.45) SCN2ANPY5RHPGDSCNR1CNR2
SCHEMBL7140412 0.83 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C19CNR1CNR2
SCHEMBL7142374 0.82 SCN2A (0.58) SCN2ANPY5RHPGDSCNR1CNR2

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 6 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
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