SCHEMBL13796958

SCHEMBL13796958

CC(C)(C)OC(=O)NCCNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3OC(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 14/20 0.57
▸ MCHR1 Q99705 13/20 0.57
▸ ADRA2A P08913 13/20 0.57
▸ ACACB O00763 4/20 0.54
▸ AQP1 P29972 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ACACA Q13085 1/20 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
SCHEMBL14606620 1.00 NPY5R (0.57) NPY5RMCHR1ADRA2AACACBAQP1
SCHEMBL13795911 0.92 NPY5R (0.57) NPY5RMCHR1ADRA2AACACBAQP1
SCHEMBL13796978 0.91 MCHR1 (0.70) NPY5RMCHR1ADRA2AACACB
SCHEMBL13796356 0.91 ACACB (0.54) NPY5RMCHR1ADRA2AACACBAQP1
SCHEMBL13796360 0.90 ACACB (0.52) NPY5RMCHR1ADRA2AACACBAQP1
SCHEMBL13796969 0.90 ACACB (0.56) NPY5RMCHR1ADRA2AACACBAQP1
SCHEMBL8901585 0.90 NPY5R (0.61) NPY5RMCHR1ADRA2AACACBAQP1
SCHEMBL14606731 0.90 NPY5R (0.61) NPY5RMCHR1ADRA2AACACBAQP1
SCHEMBL8901589 0.90 NPY5R (0.61) NPY5RMCHR1ADRA2AACACBAQP1
SCHEMBL13796955 0.89 ACACB (0.55) NPY5RMCHR1ADRA2AACACBAQP1

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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