SCHEMBL6420047

SCHEMBL6420047

O=C(OCc1cccc2ccccc12)C(=O)On1cnc2c1CCN(C(=O)O)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.37
CYP2C9 P11712 2/20 0.37
KMT2A Q03164 3/20 0.36
PTGER2 P43116 2/20 0.36
EPHX1 P07099 1/20 0.36
P2RX7 Q99572 2/20 0.36
FAAH O00519 1/20 0.35
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
MEN1 O00255 2/20 0.34
FFAR1 O14842 1/20 0.34
AKR1B1 P15121 1/20 0.34
PDK2 Q15119 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PTGDR Q13258 1/20 0.34
BCHE P06276 1/20 0.33
CNR1 P21554 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
SCHEMBL6422607 0.87 P2RX7 (0.43) PTGDR2P2RX7FAAHPDK2
SCHEMBL6420064 0.87 GRIN2B (0.38) PTGDR2KMT2AP2RX7F13A1TGM2
SCHEMBL6423530 0.85 PTGDR2 (0.36) PTGDR2KMT2AP2RX7MEN1PDK2
SCHEMBL6424323 0.84 P2RX7 (0.44) P2RX7F13A1TGM2TGM1PDK2
SCHEMBL6422386 0.84 CD274 (0.42) EPHX1
SCHEMBL6423885 0.83 PTGDR2 (0.37) PTGDR2P2RX7FAAHF13A1TGM2
SCHEMBL6422824 0.79 CHRM5 (0.41) PTGDR2KMT2AP2RX7CHRM5CHRM1
SCHEMBL6420512 0.79 GRIN2B (0.40) FAAHCHRM5CHRM1
SCHEMBL6422626 0.79 PTGDR2 (0.37) PTGDR2KMT2AMEN1PDK2
SCHEMBL6420249 0.79 PTGDR2 (0.36) PTGDR2KMT2AP2RX7MEN1PDK2

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