SCHEMBL28095708

SCHEMBL28095708

N[C@@H](CCN(C(=O)O)c1ccc2ccccc2n1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.41
SLC1A5 Q15758 3/20 0.40
MGAM O43451 1/20 0.40
KIF11 P52732 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PRNP P04156 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
MAPK10 P53779 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL28095710 1.00 NCF1 (0.41) NCF1SLC1A5MGAMKIF11ALDH1A1
SCHEMBL28095699 0.88 NCF1 (0.41) NCF1MGAMALDH1A1GAAMAPT
SCHEMBL28095700 0.88 NCF1 (0.41) NCF1MGAMALDH1A1GAAMAPT
SCHEMBL4244397 0.76 ELANE (0.48) NCF1MGAMALDH1A1GAAKDM4E
SCHEMBL27872434 0.75 RAB9A (0.46) ALDH1A1GAAMAPTKDM4ENPSR1
SCHEMBL27872482 0.72 SLC1A5 (0.36) SLC1A5ALDH1A1KDM4E
SCHEMBL27872481 0.72 SLC1A5 (0.36) SLC1A5ALDH1A1KDM4E
SCHEMBL27888828 0.72 GRM8 (0.40) SLC1A5KIF11
Glutamic Acid SCHEMBL30484923 0.72 GRM8 (0.51) MGAMKIF11ALDH1A1GAAMAPT
SCHEMBL27888830 0.72 GRM8 (0.40) SLC1A5KIF11

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-102712676-B There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing 波利弗尔股份公司 2016-10-26 CN disclosed