SCHEMBL13796948

SCHEMBL13796948

O=S(=O)(NC[C@H]1CC[C@H](CNc2nc(NC3CC3)c3ccccc3n2)CC1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 13/20 0.57
▸ SLC6A4 P31645 2/20 0.56
▸ AQP1 P29972 2/20 0.52
▸ CAMK2D Q13557 2/20 0.52
▸ ADRA2A P08913 4/20 0.51
▸ MCHR1 Q99705 4/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NPY1R P25929 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ NPY4R P50391 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ SOS1 Q07889 1/20 0.47
▸ GPR39 O43194 1/20 0.46

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
SCHEMBL13796950 0.93 NPY5R (0.57) NPY5RSLC6A4AQP1CAMK2DADRA2A
SCHEMBL13796878 0.91 PDE5A (0.57) NPY5RSLC6A4AQP1MAPT
SCHEMBL13796952 0.90 NPY5R (0.66) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13796991 0.90 NPY5R (0.59) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13795455 0.90 NPY5R (0.57) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13796098 0.89 NPY5R (0.62) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL14606857 0.87 NPY5R (0.54) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13796931 0.87 NPY5R (0.54) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13795921 0.87 NPY5R (0.57) NPY5RSLC6A4AQP1ADRA2AMCHR1
SCHEMBL13795882 0.87 NPY5R (0.58) 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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