SCHEMBL13796995

SCHEMBL13796995

Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](CNc3nc(NCCCCN)c4ccccc4n3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 12/20 0.61
▸ SLC6A4 P31645 2/20 0.55
▸ HMOX1 P09601 1/20 0.53
▸ ADRA2A P08913 5/20 0.50
▸ MCHR1 Q99705 5/20 0.50
▸ AQP1 P29972 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ NPY4R P50391 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ BCHE P06276 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GBA1 P04062 1/20 0.43
▸ BCDIN3D Q7Z5W3 1/20 0.42

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
SCHEMBL13795920 0.94 NPY5R (0.64) NPY5RSLC6A4HMOX1ADRA2AMCHR1
SCHEMBL13795925 0.94 NPY5R (0.57) NPY5RSLC6A4HMOX1ADRA2AMCHR1
SCHEMBL13797016 0.91 NPY5R (0.55) NPY5RSLC6A4HMOX1ADRA2AMCHR1
SCHEMBL13797015 0.91 NPY5R (0.55) NPY5RSLC6A4HMOX1ADRA2AMCHR1
SCHEMBL13796993 0.91 NPY5R (0.53) NPY5RSLC6A4HMOX1ADRA2AMCHR1
SCHEMBL13795927 0.89 NPY5R (0.71) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796334 0.88 NPY5R (0.64) NPY5RSLC6A4HMOX1ADRA2AMCHR1
SCHEMBL13796979 0.88 NPY5R (0.54) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796446 0.87 NPY5R (0.60) NPY5RSLC6A4ADRA2AMCHR1AQP1
SCHEMBL13796980 0.87 NPY5R (0.54) NPY5RSLC6A4ADRA2AMCHR1AQP1

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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