SCHEMBL13796646

SCHEMBL13796646

CC(C)(C)OC(=O)NCCNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 7/20 0.54
▸ NPY5R Q15761 12/20 0.50
▸ ADRA2A P08913 8/20 0.50
▸ MCHR1 Q99705 7/20 0.50
▸ SLC6A4 P31645 2/20 0.46
▸ 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
▸ ACACA Q13085 3/20 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
SCHEMBL13796998 0.96 ACACB (0.53) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL13796941 0.91 ACACB (0.56) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL14606850 0.91 ACACB (0.56) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL13796435 0.90 ACACB (0.53) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL13796956 0.90 ACACB (0.52) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL13796959 0.90 ACACB (0.54) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL13796356 0.90 ACACB (0.54) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL14606734 0.90 ACACB (0.54) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL13796360 0.89 ACACB (0.52) ACACBNPY5RADRA2AMCHR1SLC6A4
SCHEMBL13796640 0.89 ACACB (0.53) ACACBNPY5RADRA2AMCHR1SLC6A4

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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