SCHEMBL13796956

SCHEMBL13796956

CC(C)(C)OC(=O)NCCNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.52
▸ NPY5R Q15761 9/20 0.48
▸ ADRA2A P08913 7/20 0.48
▸ MCHR1 Q99705 7/20 0.48
▸ AQP1 P29972 2/20 0.46
▸ ACACA Q13085 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPY1R P25929 1/20 0.43
▸ NPY2R P49146 1/20 0.43
▸ NPY4R P50391 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CRHR1 P34998 5/20 0.42
▸ SLC6A4 P31645 1/20 0.40
▸ SOS1 Q07889 1/20 0.40

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
SCHEMBL13796367 0.96 ACACB (0.51) ACACBNPY5RADRA2AMCHR1AQP1
SCHEMBL13796646 0.90 ACACB (0.54) ACACBNPY5RADRA2AMCHR1AQP1
SCHEMBL13796955 0.90 ACACB (0.55) ACACBNPY5RADRA2AMCHR1AQP1
SCHEMBL13796356 0.87 ACACB (0.54) ACACBNPY5RADRA2AMCHR1AQP1
SCHEMBL13797006 0.86 AQP1 (0.53) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796998 0.86 ACACB (0.53) ACACBNPY5RADRA2AMCHR1AQP1
SCHEMBL13796959 0.86 ACACB (0.54) ACACBNPY5RADRA2AMCHR1AQP1
SCHEMBL14606734 0.86 ACACB (0.54) ACACBNPY5RADRA2AMCHR1AQP1
SCHEMBL13796982 0.86 AQP1 (0.51) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL14606620 0.86 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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