SCHEMBL13796815

SCHEMBL13796815

COCCNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cc(Cl)cc(Cl)c3)CC2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 11/20 0.52
▸ SLC6A4 P31645 2/20 0.52
▸ AQP1 P29972 2/20 0.49
▸ ADRA2A P08913 6/20 0.47
▸ MCHR1 Q99705 6/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ SOS1 Q07889 2/20 0.46
▸ CYP1A2 P05177 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ CLK4 Q9HAZ1 3/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ USP2 O75604 2/20 0.44
▸ HSD17B10 Q99714 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
SCHEMBL13795408 0.92 NPY5R (0.53) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13796628 0.91 NPY5R (0.55) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13795921 0.89 NPY5R (0.57) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13796444 0.88 NPY5R (0.69) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13795430 0.88 NPY5R (0.62) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13796426 0.87 NPY5R (0.51) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13795455 0.87 NPY5R (0.57) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL14606892 0.87 MRGPRX1 (0.51) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13795703 0.87 MRGPRX1 (0.51) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13796664 0.87 NPY5R (0.53) NPY5RSLC6A4AQP1ADRA2AMCHR1

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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