SCHEMBL13795703

SCHEMBL13795703

COc1ccc(CCNc2nc(NC[C@H]3CC[C@H](CNS(=O)(=O)c4cc(Cl)cc(Cl)c4)CC3)nc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX1 Q96LB2 1/20 0.51
▸ NPY5R Q15761 5/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ ACHE P22303 10/20 0.47
▸ APP P05067 9/20 0.47
▸ BCHE P06276 8/20 0.47
▸ AQP1 P29972 2/20 0.45
▸ ACP1 P24666 1/20 0.44
▸ ADRA2A P08913 2/20 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
▸ NPY2R P49146 1/20 0.44
▸ NPY4R P50391 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL14606892 1.00 MRGPRX1 (0.51) MRGPRX1NPY5RSLC6A4ACHEAPP
SCHEMBL13796330 0.93 MRGPRX1 (0.58) MRGPRX1NPY5RSLC6A4ACHEAPP
SCHEMBL13795833 0.92 NPY5R (0.52) MRGPRX1NPY5RSLC6A4ACHEAPP
SCHEMBL13795622 0.90 NPY5R (0.64) MRGPRX1NPY5RSLC6A4ACHEAPP
SCHEMBL13795878 0.90 MRGPRX1 (0.53) MRGPRX1NPY5RSLC6A4ACHEAPP
SCHEMBL14606846 0.90 MRGPRX1 (0.53) MRGPRX1NPY5RSLC6A4ACHEAPP
SCHEMBL13796342 0.89 NPY5R (0.57) MRGPRX1NPY5RSLC6A4ACHEAPP
SCHEMBL13795588 0.89 NPY5R (0.48) MRGPRX1NPY5RSLC6A4ACHEAPP
SCHEMBL13796090 0.88 NPY5R (0.51) MRGPRX1NPY5RSLC6A4ACHEAPP
SCHEMBL13796077 0.88 NPY5R (0.50) MRGPRX1NPY5RSLC6A4ACHEAPP

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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