SCHEMBL13795598

SCHEMBL13795598

CCc1ccc(Nc2nc(NC[C@H]3CC[C@H](CNS(=O)(=O)c4cccc5ccccc45)CC3)nc3ccccc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 18/20 0.66
▸ ADRA2A P08913 3/20 0.66
▸ AQP1 P29972 2/20 0.66
▸ MCHR1 Q99705 2/20 0.66
▸ NPY1R P25929 2/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ NPY2R P49146 1/20 0.66
▸ NPY4R P50391 1/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ SLC6A4 P31645 2/20 0.48
▸ NSD2 O96028 1/20 0.46

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
SCHEMBL13796829 0.92 NPY5R (0.74) NPY5RADRA2AAQP1MCHR1NPY1R
SCHEMBL13795662 0.90 NPY5R (0.53) NPY5RADRA2AAQP1MCHR1NPY1R
SCHEMBL13796743 0.90 NPY5R (0.68) NPY5RADRA2AAQP1MCHR1NPY1R
SCHEMBL13796826 0.86 NPY5R (0.67) NPY5RADRA2AAQP1MCHR1NPY1R
SCHEMBL13795681 0.86 NPY5R (0.50) NPY5RADRA2AAQP1MCHR1NPY1R
SCHEMBL13796514 0.85 NPY5R (0.61) NPY5RADRA2AAQP1MCHR1NPY1R
SCHEMBL13796331 0.85 NPY5R (0.61) NPY5RADRA2AAQP1MCHR1NPY1R
SCHEMBL13796836 0.85 NPY5R (0.67) NPY5RADRA2AAQP1MCHR1NPY1R
SCHEMBL13796430 0.84 NPY5R (0.54) NPY5RADRA2AAQP1MCHR1NPY1R
SCHEMBL13796835 0.84 NPY5R (0.63) NPY5RADRA2AAQP1MCHR1NPY1R

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-7544690-B2 MCH receptor antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 — — US disclosed
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