SCHEMBL21433290

SCHEMBL21433290

COc1cc(C(O)P(=O)(O)CCC(N)C(=O)O)cc([N+](=O)[O-])c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 19/20 1.00
GRM4 Q14833 19/20 1.00
GRM6 O15303 12/20 1.00
GRM7 Q14831 7/20 1.00

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
SCHEMBL4091094 1.00 GRM8 (1.00) GRM8GRM4GRM6GRM7
SCHEMBL10000472 1.00 GRM8 (1.00) GRM8GRM4GRM6GRM7
SCHEMBL8240828 0.91 GRM8 (0.83) GRM8GRM4GRM6GRM7
SCHEMBL346142 0.91 GRM8 (1.00) GRM8GRM4GRM6GRM7
SCHEMBL10000473 0.90 GRM8 (1.00) GRM8GRM4GRM6GRM7
SCHEMBL8242043 0.89 GRM8 (0.89) GRM8GRM4GRM6GRM7
SCHEMBL8238487 0.87 GRM8 (1.00) GRM8GRM4GRM6GRM7
SCHEMBL8238403 0.86 GRM8 (0.77) GRM8GRM4GRM6GRM7
SCHEMBL10000474 0.86 GRM8 (1.00) GRM8GRM4GRM6GRM7
SCHEMBL13858586 0.85 GRM8 (0.75) GRM8GRM4GRM6GRM7

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
EP-3039126-B1 SMALL MOLECULE CELLULAR REPROGRAMMING TO GENERATE NEURONAL CELLS THE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2019-10-09 EP disclosed