SCHEMBL6422824

SCHEMBL6422824

Cc1ccccc1CCOC(=O)C(=O)On1cnc2c1CCN(C(=O)O)C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
PDK2 Q15119 1/20 0.36
PTGDR2 Q9Y5Y4 4/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
KDM4A O75164 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
P2RX7 Q99572 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NOTUM Q6P988 1/20 0.34
GRIN2B Q13224 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ALOX5 P09917 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
SCHEMBL6420064 0.90 GRIN2B (0.38) CHRM5CHRM1PDK2PTGDR2ALDH1A1
SCHEMBL6422956 0.89 CHRM5 (0.42) CHRM5CHRM1ALDH1A1KDM4AKDM4C
SCHEMBL6423530 0.85 PTGDR2 (0.36) PDK2PTGDR2ALDH1A1P2RX7MEN1
SCHEMBL6421750 0.83 CHRM5 (0.43) CHRM5CHRM1PTGDR2ALDH1A1GAA
SCHEMBL6419655 0.81 PTGDR2 (0.37) PDK2PTGDR2ALDH1A1P2RX7MEN1
SCHEMBL6423488 0.79 CHRM5 (0.39) CHRM5CHRM1PDK2PTGDR2P2RX7
SCHEMBL6420047 0.79 PTGDR2 (0.37) CHRM5CHRM1PDK2PTGDR2P2RX7
SCHEMBL6422626 0.79 PTGDR2 (0.37) PDK2PTGDR2ALDH1A1KDM4AKDM5A
SCHEMBL6419627 0.78 HRH3 (0.35) PDK2PTGDR2GAAP2RX7MEN1
SCHEMBL6419294 0.78 PDK2 (0.37) CHRM5CHRM1PDK2PTGDR2ALDH1A1

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