SCHEMBL13796971

SCHEMBL13796971

CC(C)(C)OC(=O)NNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3Cl)CC2)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AQP1 P29972 2/20 0.57
▸ ACACB O00763 4/20 0.53
▸ NPY5R Q15761 14/20 0.51
▸ ADRA2A P08913 6/20 0.51
▸ MCHR1 Q99705 5/20 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
▸ ACACA Q13085 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SLC6A4 P31645 2/20 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
SCHEMBL13795910 0.91 ACACB (0.54) AQP1ACACBNPY5RADRA2AMCHR1
SCHEMBL13796970 0.91 NPY5R (0.64) AQP1ACACBNPY5RADRA2AMCHR1
SCHEMBL13796416 0.90 ACACB (0.54) AQP1ACACBNPY5RADRA2AMCHR1
SCHEMBL13796955 0.90 ACACB (0.55) AQP1ACACBNPY5RADRA2AMCHR1
SCHEMBL13797005 0.89 ACACB (0.52) AQP1ACACBNPY5RADRA2AMCHR1
SCHEMBL13796666 0.89 ACACB (0.52) AQP1ACACBNPY5RADRA2AMCHR1
SCHEMBL13796967 0.87 ACACB (0.51) AQP1ACACBNPY5RADRA2AMCHR1
SCHEMBL13795911 0.87 NPY5R (0.57) AQP1ACACBNPY5RADRA2AMCHR1
SCHEMBL13795913 0.87 NPY5R (0.57) AQP1ACACBNPY5RADRA2AMCHR1
SCHEMBL13797009 0.87 NPY5R (0.52) AQP1ACACBNPY5RADRA2AMCHR1

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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