SCHEMBL13796416

SCHEMBL13796416

CC(C)(C)OC(=O)NNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.54
▸ NPY5R Q15761 12/20 0.51
▸ SLC6A4 P31645 2/20 0.51
▸ ADRA2A P08913 6/20 0.50
▸ MCHR1 Q99705 5/20 0.50
▸ AQP1 P29972 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GBA1 P04062 1/20 0.46
▸ ACACA Q13085 1/20 0.45

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
SCHEMBL13795913 0.95 NPY5R (0.57) ACACBNPY5RSLC6A4ADRA2AMCHR1
SCHEMBL13796376 0.94 NPY5R (0.51) ACACBNPY5RSLC6A4ADRA2AMCHR1
SCHEMBL13796974 0.92 NPY5R (0.50) ACACBNPY5RSLC6A4ADRA2AMCHR1
SCHEMBL13796967 0.92 ACACB (0.51) ACACBNPY5RSLC6A4ADRA2AMCHR1
SCHEMBL13797005 0.92 ACACB (0.52) ACACBNPY5RSLC6A4ADRA2AMCHR1
SCHEMBL13796972 0.92 ACACB (0.64) ACACBNPY5RSLC6A4ADRA2AMCHR1
SCHEMBL13795910 0.91 ACACB (0.54) ACACBNPY5RSLC6A4ADRA2AMCHR1
SCHEMBL13796970 0.91 NPY5R (0.64) ACACBNPY5RSLC6A4ADRA2AMCHR1
SCHEMBL13796435 0.90 ACACB (0.53) ACACBNPY5RSLC6A4ADRA2AMCHR1
SCHEMBL13796971 0.90 AQP1 (0.57) ACACBNPY5RSLC6A4ADRA2AMCHR1

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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