SCHEMBL13796773

SCHEMBL13796773

Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](CNc3nc(NCCc4ccc(F)cc4)c4ccccc4n3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 6/20 0.61
▸ SLC6A4 P31645 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HMOX1 P09601 2/20 0.51
▸ MRGPRX1 Q96LB2 1/20 0.49
▸ APP P05067 4/20 0.46
▸ BCHE P06276 4/20 0.46
▸ ACHE P22303 4/20 0.46
▸ ADRA2A P08913 2/20 0.46
▸ AQP1 P29972 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ NPY4R P50391 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ AURKA O14965 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
SCHEMBL13796315 0.94 NPY5R (0.52) NPY5RSLC6A4MAPTHMOX1MRGPRX1
SCHEMBL13796689 0.92 MRGPRX1 (0.61) NPY5RSLC6A4MAPTHMOX1MRGPRX1
SCHEMBL13796770 0.92 MRGPRX1 (0.61) NPY5RSLC6A4MAPTHMOX1MRGPRX1
SCHEMBL13796340 0.92 NPY5R (0.51) NPY5RSLC6A4MAPTHMOX1MRGPRX1
SCHEMBL13796342 0.90 NPY5R (0.57) NPY5RSLC6A4MAPTHMOX1MRGPRX1
SCHEMBL13796850 0.90 NPY5R (0.51) NPY5RSLC6A4MAPTHMOX1MRGPRX1
SCHEMBL13795956 0.89 NPY5R (0.66) NPY5RSLC6A4MAPTHMOX1MRGPRX1
SCHEMBL13795878 0.88 MRGPRX1 (0.53) NPY5RSLC6A4MAPTHMOX1MRGPRX1
SCHEMBL14606846 0.88 MRGPRX1 (0.53) NPY5RSLC6A4MAPTHMOX1MRGPRX1
SCHEMBL13795831 0.88 NPY5R (0.61) NPY5RSLC6A4MAPTHMOX1ADRA2A

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 1 patent. 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
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