SCHEMBL13796987

SCHEMBL13796987

NCCCCNc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccccc3Br)CC2)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 18/20 0.58
▸ ADRA2A P08913 7/20 0.58
▸ MCHR1 Q99705 7/20 0.58
▸ AQP1 P29972 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ NPY1R P25929 1/20 0.58
▸ NPY2R P49146 1/20 0.58
▸ NPY4R P50391 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ SLC6A4 P31645 2/20 0.49
▸ AGTR1 P30556 1/20 0.44
▸ AGTR2 P50052 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
SCHEMBL13796443 0.94 NPY5R (0.60) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13797021 0.91 NPY5R (0.70) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796460 0.90 AQP1 (0.63) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13795925 0.89 NPY5R (0.57) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13797016 0.89 NPY5R (0.55) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13797014 0.88 NPY5R (0.54) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13795929 0.86 NPY5R (0.56) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796884 0.85 NPY5R (0.61) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13796995 0.85 NPY5R (0.61) NPY5RADRA2AMCHR1AQP1ALDH1A1
SCHEMBL13797015 0.85 NPY5R (0.55) 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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