SCHEMBL13796850

SCHEMBL13796850

O=S(=O)(NC[C@H]1CC[C@H](CNc2nc(NCCc3ccc(F)cc3)c3ccccc3n2)CC1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 10/20 0.51
▸ SLC6A4 P31645 2/20 0.51
▸ ADRA2A P08913 6/20 0.49
▸ MCHR1 Q99705 5/20 0.49
▸ MRGPRX1 Q96LB2 1/20 0.47
▸ APP P05067 3/20 0.44
▸ BCHE P06276 3/20 0.44
▸ ACHE P22303 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ AQP1 P29972 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ NPY4R P50391 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ SCN9A Q15858 1/20 0.43

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
SCHEMBL13796077 0.93 NPY5R (0.50) NPY5RSLC6A4ADRA2AMCHR1MRGPRX1
SCHEMBL13796315 0.92 NPY5R (0.52) NPY5RSLC6A4ADRA2AMCHR1MRGPRX1
SCHEMBL13796689 0.90 MRGPRX1 (0.61) NPY5RSLC6A4ADRA2AMCHR1MRGPRX1
SCHEMBL13796340 0.90 NPY5R (0.51) NPY5RSLC6A4ADRA2AMCHR1MRGPRX1
SCHEMBL13796773 0.90 NPY5R (0.61) NPY5RSLC6A4ADRA2AMCHR1MRGPRX1
SCHEMBL13795956 0.89 NPY5R (0.66) NPY5RSLC6A4ADRA2AMCHR1MRGPRX1
SCHEMBL13796983 0.88 NPY5R (0.56) NPY5RSLC6A4ADRA2AMCHR1ALDH1A1
SCHEMBL13796790 0.87 NPY5R (0.49) NPY5RSLC6A4ADRA2AMCHR1MRGPRX1
SCHEMBL13796654 0.87 NPY5R (0.63) NPY5RSLC6A4ADRA2AMCHR1ALDH1A1
SCHEMBL13796765 0.86 NPY5R (0.53) NPY5RSLC6A4ADRA2AMCHR1ALDH1A1

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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