SCHEMBL1768836

SCHEMBL1768836

NCCN(CC[C@H](N)C(=O)O)S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.46
PMP22 Q01453 2/20 0.42
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CYP1A2 P05177 1/20 0.39
GRIK1 P39086 1/20 0.39
GRM5 P41594 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
GRIA4 P48058 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRIK3 Q13003 1/20 0.39

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
SCHEMBL27872537 1.00 GSR (0.46) GSRPMP22GRM8GRM6GRIN2D
SCHEMBL27872419 0.91 GSR (0.53) GSRPMP22GRM8GRM6GRIN2D
SCHEMBL27872420 0.91 GSR (0.53) GSRPMP22GRM8GRM6GRIN2D
SCHEMBL27888797 0.86 PMP22 (0.42) GSRPMP22GRM8GRM6GRIN2D
SCHEMBL27888803 0.86 PMP22 (0.42) GSRPMP22GRM8GRM6GRIN2D
SCHEMBL27888802 0.84 GSR (0.38) GSRPMP22GRM8GRM6GRIN2D
SCHEMBL27888799 0.84 GSR (0.38) GSRPMP22GRM8GRM6GRIN2D
SCHEMBL1769614 0.83 PMP22 (0.43) GSRPMP22GRM8GRM6GRIN2D
SCHEMBL13585457 0.83 PMP22 (0.40) GSRPMP22GRM8GRM6GRIN2D
SCHEMBL1769616 0.83 PMP22 (0.43) GSRPMP22GRM8GRM6GRIN2D

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 4 patents. 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
CN-102712676-A Template-fixed peptidomimetics with CCR10 antagonistic activty POLYPHOR AG 2012-10-03 CN disclosed
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY POLYPHOR AG (CH) 2011-05-26 WO disclosed