SCHEMBL6423522

SCHEMBL6423522

CC(OC(=O)C(=O)On1cnc2c1CCN(C(=O)O)C2)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.39
P2RX7 Q99572 4/20 0.37
GRIN2B Q13224 1/20 0.37
PTGDR2 Q9Y5Y4 5/20 0.37
HCAR2 Q8TDS4 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL6419294 0.83 PDK2 (0.37) PDK2P2RX7PTGDR2
SCHEMBL6420064 0.78 GRIN2B (0.38) PDK2P2RX7GRIN2BPTGDR2MEN1
SCHEMBL6423530 0.76 PTGDR2 (0.36) PDK2P2RX7GRIN2BPTGDR2MEN1
SCHEMBL6422824 0.76 CHRM5 (0.41) PDK2P2RX7GRIN2BPTGDR2MEN1
SCHEMBL6422607 0.76 P2RX7 (0.43) PDK2P2RX7PTGDR2
SCHEMBL6420249 0.76 PTGDR2 (0.36) PDK2P2RX7PTGDR2MEN1KMT2A
SCHEMBL6422386 0.75 CD274 (0.42)
SCHEMBL6419465 0.75 PDK2 (0.36) PDK2P2RX7GRIN2BPTGDR2
SCHEMBL6422956 0.75 CHRM5 (0.42) MEN1KMT2A
SCHEMBL6420512 0.74 GRIN2B (0.40) GRIN2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US disclosed
EP-1173438-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-23 EP disclosed
WO-2000063208-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed