SCHEMBL13795622

SCHEMBL13795622

COc1ccc(CCNc2nc(NC[C@H]3CC[C@H](CNS(=O)(=O)c4ccc5ccccc5c4)CC3)nc3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 8/20 0.64
▸ SLC6A4 P31645 2/20 0.64
▸ ACHE P22303 8/20 0.47
▸ APP P05067 7/20 0.47
▸ BCHE P06276 6/20 0.47
▸ MRGPRX1 Q96LB2 1/20 0.47
▸ ADRA2A P08913 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ AQP1 P29972 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
▸ ACACB O00763 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 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
SCHEMBL13795833 0.93 NPY5R (0.52) NPY5RSLC6A4ACHEAPPBCHE
SCHEMBL13796342 0.91 NPY5R (0.57) NPY5RSLC6A4ACHEAPPBCHE
SCHEMBL13796330 0.91 MRGPRX1 (0.58) NPY5RSLC6A4ACHEAPPBCHE
SCHEMBL13796090 0.91 NPY5R (0.51) NPY5RSLC6A4ACHEAPPBCHE
SCHEMBL13795956 0.90 NPY5R (0.66) NPY5RSLC6A4ACHEAPPBCHE
SCHEMBL14606892 0.90 MRGPRX1 (0.51) NPY5RSLC6A4ACHEAPPBCHE
SCHEMBL13796077 0.90 NPY5R (0.50) NPY5RSLC6A4ACHEAPPBCHE
SCHEMBL13795703 0.90 MRGPRX1 (0.51) NPY5RSLC6A4ACHEAPPBCHE
SCHEMBL13796427 0.88 NPY5R (0.62) NPY5RSLC6A4ACHEAPPBCHE
SCHEMBL13795588 0.88 NPY5R (0.48) NPY5RSLC6A4ACHEAPPBCHE

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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