SCHEMBL13796375

SCHEMBL13796375

CN(C)c1cccc2c(S(=O)(=O)NC[C@H]3CC[C@H](CNc4nc(NCCCCNC(=O)OC(C)(C)C)c5ccccc5n4)CC3)cccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.51
▸ NPY5R Q15761 13/20 0.49
▸ ADRA2A P08913 8/20 0.49
▸ MCHR1 Q99705 8/20 0.49
▸ AQP1 P29972 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ ACACA Q13085 1/20 0.43
▸ TGM2 P21980 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC5 Q9UQL6 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
SCHEMBL14606728 0.96 ACACB (0.52) ACACBNPY5RADRA2AMCHR1AQP1
SCHEMBL13796981 0.96 ACACB (0.52) ACACBNPY5RADRA2AMCHR1AQP1
SCHEMBL13795907 0.91 NPY5R (0.59) ACACBNPY5RADRA2AMCHR1AQP1
SCHEMBL13797009 0.89 NPY5R (0.52) ACACBNPY5RADRA2AMCHR1AQP1
SCHEMBL13796964 0.88 ACACB (0.55) ACACBNPY5RADRA2AMCHR1AQP1
SCHEMBL13796653 0.87 ACACB (0.55) ACACBNPY5RADRA2AMCHR1AQP1
SCHEMBL13795929 0.87 NPY5R (0.56) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL8901585 0.87 NPY5R (0.61) ACACBNPY5RADRA2AMCHR1AQP1
SCHEMBL8901589 0.87 NPY5R (0.61) ACACBNPY5RADRA2AMCHR1AQP1
SCHEMBL14606731 0.87 NPY5R (0.61) 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 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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