SCHEMBL13796360

SCHEMBL13796360

CC(C)(C)OC(=O)NCCNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.52
▸ NPY5R Q15761 14/20 0.51
▸ ADRA2A P08913 10/20 0.51
▸ MCHR1 Q99705 9/20 0.51
▸ SLC6A4 P31645 2/20 0.48
▸ AQP1 P29972 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ NPY4R P50391 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ACACA Q13085 1/20 0.43
▸ CTNNB1 P35222 1/20 0.41
▸ TCF7L2 Q9NQB0 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
SCHEMBL13796962 0.96 ACACB (0.51) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL13796941 0.93 ACACB (0.56) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL14606850 0.93 ACACB (0.56) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL13796362 0.92 NPY5R (0.55) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL13796945 0.91 ACACB (0.53) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL13796640 0.91 ACACB (0.53) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL13796974 0.91 NPY5R (0.50) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL13796642 0.91 ACACB (0.53) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL13795896 0.90 ACACB (0.66) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL14606620 0.90 NPY5R (0.57) ACACBNPY5RADRA2AMCHR1AQP1

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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