SCHEMBL7145617

SCHEMBL7145617

c1ccc(-c2ncc(-c3cccc(CNCC(CC4CCCC4)c4ccccc4)c3)[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 3/20 0.41
CNR2 P34972 9/20 0.40
NPY5R Q15761 1/20 0.40
CNR1 P21554 3/20 0.39
SPHK1 Q9NYA1 1/20 0.39
F11 P03951 2/20 0.37
KLKB1 P03952 2/20 0.37
ADRA2C P18825 1/20 0.37
HPGDS O60760 1/20 0.36

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
SCHEMBL7135177 0.99 SCN2A (0.41) SCN2ACNR2NPY5RCNR1SPHK1
SCHEMBL7143629 0.90 SPHK1 (0.43) SCN2ACNR2NPY5RCNR1SPHK1
SCHEMBL7140240 0.83 SCN2A (0.42) SCN2ACNR2NPY5RCNR1SPHK1
SCHEMBL7139526 0.77 SCN2A (0.50) SCN2ACNR2NPY5RCNR1HPGDS
SCHEMBL7145620 0.77 SCN2A (0.41) SCN2ACNR2NPY5RCNR1SPHK1
SCHEMBL7135182 0.76 SCN2A (0.41) SCN2ACNR2NPY5RCNR1SPHK1
SCHEMBL7143472 0.75 SCN2A (0.48) SCN2ACNR2NPY5RCNR1ADRA2C
SCHEMBL8117997 0.75 SCN2A (0.50) SCN2ACNR2NPY5RCNR1HPGDS
SCHEMBL7142302 0.74 SCN2A (0.52) SCN2ACNR2NPY5RCNR1HPGDS
SCHEMBL7138233 0.74 SCN2A (0.55) SCN2ACNR2NPY5RCNR1ADRA2C

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 2 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 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