SCHEMBL13795683

SCHEMBL13795683

NS(=O)(=O)c1ccc(CCNc2nc(NC[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4)CC3)nc3ccccc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX1 Q96LB2 1/20 0.65
▸ NPY5R Q15761 6/20 0.56
▸ SLC6A4 P31645 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.51
▸ AQP1 P29972 2/20 0.51
▸ ADRA2A P08913 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NPY1R P25929 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
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ APP P05067 5/20 0.49
▸ ACHE P22303 5/20 0.49
▸ BCHE P06276 4/20 0.49
▸ GBA1 P04062 1/20 0.46
▸ MEN1 O00255 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
SCHEMBL13796770 0.95 MRGPRX1 (0.61) MRGPRX1NPY5RSLC6A4ALDH1A1AQP1
SCHEMBL13796315 0.90 NPY5R (0.52) MRGPRX1NPY5RSLC6A4ALDH1A1AQP1
SCHEMBL13796521 0.90 MRGPRX1 (0.56) MRGPRX1NPY5RSLC6A4ALDH1A1AQP1
SCHEMBL13795833 0.88 NPY5R (0.52) MRGPRX1NPY5RSLC6A4ALDH1A1AQP1
SCHEMBL13796340 0.86 NPY5R (0.51) MRGPRX1NPY5RSLC6A4ALDH1A1AQP1
SCHEMBL13796773 0.86 NPY5R (0.61) MRGPRX1NPY5RSLC6A4ALDH1A1AQP1
SCHEMBL13796689 0.86 MRGPRX1 (0.61) MRGPRX1NPY5RSLC6A4ALDH1A1AQP1
SCHEMBL13796446 0.86 NPY5R (0.60) NPY5RSLC6A4ALDH1A1AQP1ADRA2A
SCHEMBL13796342 0.85 NPY5R (0.57) MRGPRX1NPY5RSLC6A4ALDH1A1AQP1
SCHEMBL13796090 0.84 NPY5R (0.51) MRGPRX1NPY5RSLC6A4ALDH1A1AQP1

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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