SCHEMBL13796864

SCHEMBL13796864

Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](CNc3nc(N(C)Cc4ccccc4)c4ccccc4n3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 12/20 0.60
▸ ADRA2A P08913 7/20 0.60
▸ MCHR1 Q99705 7/20 0.55
▸ SLC6A4 P31645 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ AQP1 P29972 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ GBA1 P04062 1/20 0.44
▸ CA12 O43570 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL13796638 0.94 NPY5R (0.64) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13796338 0.92 NPY5R (0.59) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL14606716 0.91 NPY5R (0.58) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13796547 0.91 NPY5R (0.62) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13794355 0.90 NPY5R (0.74) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13796813 0.90 NPY5R (0.69) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13796761 0.88 NPY5R (0.59) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13796777 0.88 NPY5R (0.58) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13796589 0.86 NPY5R (0.61) NPY5RADRA2AMCHR1SLC6A4ALDH1A1
SCHEMBL13796879 0.86 NPY5R (0.68) NPY5RADRA2AMCHR1SLC6A4ALDH1A1

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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