SCHEMBL13796368

SCHEMBL13796368

CN(CCc1ccccn1)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3cc(OCC(F)(F)F)ccc3OCC(F)(F)F)CC2)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 15/20 0.52
▸ ADRA2A P08913 14/20 0.52
▸ MCHR1 Q99705 14/20 0.52
▸ CNR2 P34972 1/20 0.42
▸ AQP1 P29972 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ NPY4R P50391 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SLC6A4 P31645 2/20 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
SCHEMBL14606847 0.88 NPY5R (0.65) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13793590 0.88 NPY5R (0.65) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796688 0.88 NPY5R (0.56) NPY5RADRA2AMCHR1AQP1ALDH1A1
Hydrochloric Acid SCHEMBL3940194 0.88 NPY5R (0.66) NPY5RADRA2AMCHR1AQP1ALDH1A1
Hydrochloric Acid SCHEMBL3940192 0.88 NPY5R (0.66) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796783 0.85 NPY5R (0.52) NPY5RADRA2AMCHR1CNR2AQP1
SCHEMBL13796855 0.84 NPY5R (0.55) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796398 0.83 MCHR1 (0.77) NPY5RADRA2AMCHR1
SCHEMBL13796814 0.82 NPY5R (0.61) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796755 0.82 NPY5R (0.58) NPY5RADRA2AMCHR1AQP1ALDH1A1

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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