SCHEMBL6419564

SCHEMBL6419564

CC(C)c1ccc(COC(=O)C(=O)On2cnc3c2CCN(C(=O)O)C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
GRIN2B Q13224 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BCL9 O00512 3/20 0.34
CTNNB1 P35222 3/20 0.34

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
SCHEMBL6419465 0.89 PDK2 (0.36) HRH3GRIN2BL3MBTL1RXRARXRB
SCHEMBL6421015 0.86 GRIN2B (0.38) GRIN2BKMT2AMEN1L3MBTL1RXRA
SCHEMBL6419627 0.85 HRH3 (0.35) HRH3KMT2AMEN1NPC1RAB9A
SCHEMBL6423885 0.84 PTGDR2 (0.37) FAAHPTGDR2PDK2
SCHEMBL6420512 0.82 GRIN2B (0.40) GRIN2BALDH1A1LMNAMAPTFAAH
SCHEMBL6420101 0.80 KDM4E (0.38) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6420064 0.80 GRIN2B (0.38) GRIN2BKMT2AMEN1ALDH1A1MAPT
SCHEMBL6422607 0.80 P2RX7 (0.43) ALDH1A1L3MBTL1MAPTFAAHPTGDR2
SCHEMBL6423522 0.79 PDK2 (0.39) GRIN2BKMT2AMEN1PTGDR2PDK2
SCHEMBL6419294 0.79 PDK2 (0.37) ALDH1A1CYP1A2NPSR1PTGDR2PDK2

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