SCHEMBL13796366

SCHEMBL13796366

O=S(=O)(NC[C@H]1CC[C@H](CNc2nc(Nc3cccc(F)c3)c3ccccc3n2)CC1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 12/20 0.55
▸ SOS1 Q07889 2/20 0.54
▸ SLC6A4 P31645 2/20 0.51
▸ AQP1 P29972 2/20 0.50
▸ ADRA2A P08913 3/20 0.49
▸ MCHR1 Q99705 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ GPR39 O43194 2/20 0.46
▸ ABCG2 Q9UNQ0 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
SCHEMBL13796692 0.93 NPY5R (0.59) NPY5RSOS1SLC6A4AQP1ADRA2A
SCHEMBL13796098 0.93 NPY5R (0.62) NPY5RSOS1SLC6A4AQP1ADRA2A
SCHEMBL13796632 0.92 NPY5R (0.61) NPY5RSOS1SLC6A4AQP1ADRA2A
SCHEMBL13795882 0.90 NPY5R (0.58) NPY5RSOS1SLC6A4AQP1ADRA2A
SCHEMBL13796365 0.89 NPY5R (0.54) NPY5RSOS1SLC6A4AQP1ADRA2A
SCHEMBL13796720 0.88 NPY5R (0.53) NPY5RSOS1SLC6A4AQP1ADRA2A
SCHEMBL13796437 0.88 NPY5R (0.68) NPY5RSOS1SLC6A4AQP1ADRA2A
SCHEMBL13796662 0.88 NPY5R (0.71) NPY5RSOS1SLC6A4AQP1ADRA2A
SCHEMBL13796836 0.86 NPY5R (0.67) NPY5RSOS1SLC6A4AQP1ADRA2A
SCHEMBL13796073 0.86 AQP1 (0.52) NPY5RSOS1SLC6A4AQP1ADRA2A

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
Send feedback