SCHEMBL13796521

SCHEMBL13796521

NS(=O)(=O)c1ccc(CCNc2nc(NC[C@H]3CC[C@H](CNS(=O)(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)nc3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX1 Q96LB2 1/20 0.56
▸ NPY5R Q15761 11/20 0.51
▸ SLC6A4 P31645 2/20 0.51
▸ ADRA2A P08913 6/20 0.48
▸ MCHR1 Q99705 5/20 0.48
▸ AQP1 P29972 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ APP P05067 3/20 0.43
▸ BCHE P06276 3/20 0.43
▸ ACHE P22303 3/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 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
SCHEMBL13796790 0.92 NPY5R (0.49) MRGPRX1NPY5RSLC6A4ADRA2AMCHR1
SCHEMBL13795683 0.90 MRGPRX1 (0.65) MRGPRX1NPY5RSLC6A4ADRA2AMCHR1
SCHEMBL13795588 0.89 NPY5R (0.48) MRGPRX1NPY5RSLC6A4ADRA2AMCHR1
SCHEMBL13795918 0.88 NPY5R (0.54) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796770 0.86 MRGPRX1 (0.61) MRGPRX1NPY5RSLC6A4ADRA2AMCHR1
SCHEMBL13796787 0.86 NPY5R (0.52) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13797019 0.86 NPY5R (0.52) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796994 0.85 NPY5R (0.57) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796808 0.84 NPY5R (0.54) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796099 0.84 MRGPRX1 (0.49) MRGPRX1NPY5RSLC6A4ADRA2AMCHR1

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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