SCHEMBL13796437

SCHEMBL13796437

O=S(=O)(NC[C@H]1CC[C@H](CNc2nc(Nc3cccc(F)c3)c3ccccc3n2)CC1)c1ccc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 10/20 0.68
▸ SLC6A4 P31645 2/20 0.68
▸ AQP1 P29972 2/20 0.51
▸ ADRA2A P08913 2/20 0.51
▸ NPY1R P25929 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ MCHR1 Q99705 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ GPR39 O43194 2/20 0.47
▸ SOS1 Q07889 2/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 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
SCHEMBL13796433 0.93 NPY5R (0.75) NPY5RSLC6A4AQP1ADRA2ANPY1R
SCHEMBL13796632 0.92 NPY5R (0.61) NPY5RSLC6A4AQP1ADRA2ANPY1R
SCHEMBL13796662 0.90 NPY5R (0.71) NPY5RSLC6A4AQP1ADRA2ANPY1R
SCHEMBL13796692 0.90 NPY5R (0.59) NPY5RSLC6A4AQP1ADRA2ANPY1R
SCHEMBL13795709 0.89 NPY5R (0.65) NPY5RSLC6A4AQP1ADRA2ANPY1R
SCHEMBL13796079 0.89 NPY5R (0.56) NPY5RSLC6A4AQP1ADRA2ANPY1R
SCHEMBL13796366 0.88 NPY5R (0.55) NPY5RSLC6A4AQP1ADRA2ANPY1R
SCHEMBL13796836 0.88 NPY5R (0.67) NPY5RSLC6A4AQP1ADRA2ANPY1R
SCHEMBL13795958 0.87 NPY5R (0.69) NPY5RSLC6A4AQP1ADRA2ANPY1R
SCHEMBL13796720 0.87 NPY5R (0.53) NPY5RSLC6A4AQP1ADRA2ANPY1R

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