SCHEMBL28111283

SCHEMBL28111283

N=C(N)NCCC[C@H](N)C(=O)OC(=O)c1ccccc1C(=O)OC(=O)[C@@H](N)CCCNC(=N)N.[KH].[KH]

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 7/20 0.39
NPY1R P25929 5/20 0.39
NPY2R P49146 4/20 0.36
NPY5R Q15761 4/20 0.36
DPP8 Q6V1X1 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
TSHR P16473 4/20 0.34
ALDH1A1 P00352 3/20 0.34
CA2 P00918 1/20 0.34
CYP3A4 P08684 1/20 0.34
ANPEP P15144 1/20 0.34
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5606092 0.91 TDP1 (0.43) NPY4RNPY1RNPY2RNPY5RTSHR
SCHEMBL2246952 0.87 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5RDPP8
SCHEMBL28911603 0.86 NPY4R (0.38) NPY4RNPY1RNPY2RNPY5RDPP8
SCHEMBL27908189 0.83 NR4A2 (0.46) ALDH1A1HTTL3MBTL1
SCHEMBL288133 0.82 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL28712062 0.82 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL9237239 0.82 NPY4R (0.39) NPY4RNPY1RNPY2RNPY5RDPP7
SCHEMBL17164666 0.81 NAAA (0.41) NPY4RNPY1RNPY2RNPY5RDPP8
SCHEMBL22633923 0.81 NAAA (0.41) NPY4RNPY1RNPY2RNPY5RDPP8
SCHEMBL1401439 0.81 ANPEP (0.47) NPY4RNPY1RNPY2RNPY5RDPP8

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
CN-106139156-A A kind of pharmaceutical composition containing quinoline or its salt 江苏恒瑞医药股份有限公司 2016-11-23 CN disclosed