SCHEMBL13796974

SCHEMBL13796974

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 15/20 0.50
▸ ADRA2A P08913 11/20 0.50
▸ MCHR1 Q99705 10/20 0.50
▸ SLC6A4 P31645 2/20 0.49
▸ ACACB O00763 2/20 0.49
▸ AQP1 P29972 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPY1R P25929 1/20 0.45
▸ NPY2R P49146 1/20 0.45
▸ NPY4R P50391 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CTNNB1 P35222 1/20 0.42
▸ TCF7L2 Q9NQB0 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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 0.92 ACACB (0.54) NPY5RADRA2AMCHR1SLC6A4ACACB
SCHEMBL13796376 0.91 NPY5R (0.51) NPY5RADRA2AMCHR1SLC6A4ACACB
SCHEMBL13796360 0.91 ACACB (0.52) NPY5RADRA2AMCHR1SLC6A4ACACB
SCHEMBL13795913 0.91 NPY5R (0.57) NPY5RADRA2AMCHR1SLC6A4ACACB
SCHEMBL13796962 0.90 ACACB (0.51) NPY5RADRA2AMCHR1SLC6A4ACACB
SCHEMBL13795911 0.89 NPY5R (0.57) NPY5RADRA2AMCHR1ACACBAQP1
SCHEMBL13796972 0.89 ACACB (0.64) NPY5RADRA2AMCHR1SLC6A4ACACB
SCHEMBL13796435 0.88 ACACB (0.53) NPY5RADRA2AMCHR1SLC6A4ACACB
SCHEMBL13796267 0.86 NPY5R (0.55) NPY5RADRA2AMCHR1SLC6A4AQP1
SCHEMBL13795423 0.86 NPY5R (0.56) NPY5RADRA2AMCHR1SLC6A4AQP1

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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