SCHEMBL13796998

SCHEMBL13796998

CC(C)(C)OC(=O)NCCCCNc1nc(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 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.53
▸ NPY5R Q15761 12/20 0.49
▸ ADRA2A P08913 8/20 0.49
▸ MCHR1 Q99705 7/20 0.49
▸ ACACA Q13085 3/20 0.45
▸ SLC6A4 P31645 2/20 0.45
▸ 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
▸ BRD4 O60885 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
SCHEMBL13796646 0.96 ACACB (0.54) ACACBNPY5RADRA2AMCHR1ACACA
SCHEMBL13796653 0.91 ACACB (0.55) ACACBNPY5RADRA2AMCHR1ACACA
SCHEMBL13796367 0.90 ACACB (0.51) ACACBNPY5RADRA2AMCHR1ACACA
SCHEMBL13796372 0.90 ACACB (0.53) ACACBNPY5RADRA2AMCHR1ACACA
SCHEMBL13796649 0.90 ACACB (0.53) ACACBNPY5RADRA2AMCHR1ACACA
SCHEMBL13796962 0.89 ACACB (0.51) ACACBNPY5RADRA2AMCHR1ACACA
SCHEMBL13795906 0.89 ACACB (0.51) ACACBNPY5RADRA2AMCHR1ACACA
SCHEMBL13796435 0.89 ACACB (0.53) ACACBNPY5RADRA2AMCHR1ACACA
SCHEMBL13796663 0.88 ACACB (0.64) ACACBNPY5RADRA2AMCHR1ACACA
SCHEMBL13795909 0.88 NPY5R (0.54) ACACBNPY5RADRA2AMCHR1ACACA

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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