SCHEMBL6419465

SCHEMBL6419465

CCc1ccc(COC(=O)C(=O)On2cnc3c2CCN(C(=O)O)C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
GRIN2B Q13224 1/20 0.36
PTGDR2 Q9Y5Y4 6/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
P2RX7 Q99572 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
PTGER2 P43116 1/20 0.32

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
SCHEMBL6419564 0.89 HRH3 (0.39) PDK2HRH3GRIN2BPTGDR2NPC1
SCHEMBL6421015 0.89 GRIN2B (0.38) PDK2GRIN2BNPC1RAB9ARXRA
SCHEMBL6419627 0.87 HRH3 (0.35) PDK2HRH3PTGDR2NPC1RAB9A
SCHEMBL6423885 0.84 PTGDR2 (0.37) PDK2PTGDR2P2RX7
SCHEMBL6420512 0.84 GRIN2B (0.40) GRIN2BCHRM5CHRM1MAPTPOLB
SCHEMBL6420101 0.83 KDM4E (0.38) NPC1RAB9AMAPT
SCHEMBL6420064 0.82 GRIN2B (0.38) PDK2GRIN2BPTGDR2P2RX7CHRM5
SCHEMBL6423530 0.81 PTGDR2 (0.36) PDK2GRIN2BPTGDR2P2RX7MAPT
SCHEMBL6422626 0.81 PTGDR2 (0.37) PDK2GRIN2BPTGDR2NPC1RAB9A
SCHEMBL6420249 0.80 PTGDR2 (0.36) PDK2PTGDR2NPC1RAB9AP2RX7

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