SCHEMBL7140718

SCHEMBL7140718

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 8/20 0.51
NPY5R Q15761 4/20 0.50
HPGDS O60760 6/20 0.45
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
PDE10A Q9Y233 1/20 0.41
SMPD3 Q9NY59 1/20 0.41

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
SCHEMBL7145532 0.90 SCN2A (0.53) SCN2ANPY5RHPGDSCNR1CNR2
SCHEMBL8189930 0.87 SCN2A (0.50) SCN2ANPY5RHPGDSCNR1CNR2
SCHEMBL8110761 0.85 SCN2A (0.48) SCN2ANPY5RHPGDSCNR1CNR2
SCHEMBL7142374 0.84 SCN2A (0.58) SCN2ANPY5RHPGDSCNR1CNR2
SCHEMBL7138233 0.81 SCN2A (0.55) SCN2ANPY5RHPGDSCNR1CNR2
SCHEMBL7142086 0.81 SCN2A (0.55) SCN2ANPY5RHPGDSCNR1CNR2
SCHEMBL7143623 0.81 BACE1 (0.46) SCN2ANPY5RHPGDSCNR1CNR2
SCHEMBL7143472 0.80 SCN2A (0.48) SCN2ANPY5RHPGDSCNR1CNR2
SCHEMBL7145535 0.79 SCN2A (0.52) SCN2ANPY5RHPGDSCNR1CNR2
SCHEMBL19198972 0.79 SCN2A (0.62) 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 1 patent. 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