SCHEMBL13796376

SCHEMBL13796376

CC(C)(C)OC(=O)NNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(F)cc3)CC2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 10/20 0.51
▸ ACACB O00763 3/20 0.51
▸ SLC6A4 P31645 2/20 0.49
▸ ADRA2A P08913 5/20 0.47
▸ MCHR1 Q99705 4/20 0.47
▸ AQP1 P29972 2/20 0.47
▸ ALDH1A1 P00352 1/20 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
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPC1 O15118 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CTNNB1 P35222 1/20 0.42
▸ TCF7L2 Q9NQB0 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
SCHEMBL13796416 0.94 ACACB (0.54) NPY5RACACBSLC6A4ADRA2AMCHR1
SCHEMBL13795913 0.93 NPY5R (0.57) NPY5RACACBSLC6A4ADRA2AMCHR1
SCHEMBL13796974 0.91 NPY5R (0.50) NPY5RACACBSLC6A4ADRA2AMCHR1
SCHEMBL13796972 0.90 ACACB (0.64) NPY5RACACBSLC6A4ADRA2AMCHR1
SCHEMBL13796435 0.88 ACACB (0.53) NPY5RACACBSLC6A4ADRA2AMCHR1
SCHEMBL13797005 0.88 ACACB (0.52) NPY5RACACBSLC6A4ADRA2AMCHR1
SCHEMBL13795910 0.87 ACACB (0.54) NPY5RACACBSLC6A4ADRA2AMCHR1
SCHEMBL13796970 0.87 NPY5R (0.64) NPY5RACACBSLC6A4ADRA2AMCHR1
SCHEMBL13795911 0.87 NPY5R (0.57) NPY5RACACBADRA2AMCHR1AQP1
SCHEMBL13796967 0.87 ACACB (0.51) NPY5RACACBSLC6A4ADRA2AMCHR1

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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