SCHEMBL6420631

SCHEMBL6420631

O=C(OCC1CCCC1)C(=O)On1cnc2c1CCN(C(=O)O)C2

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
CNR2 P34972 2/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
PDK2 Q15119 1/20 0.31
P2RX7 Q99572 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
MAOB P27338 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6422857 0.99 PTGDR2 (0.35) PTGDR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL6420518 0.89 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6420533 0.87 ALDH1A1 (0.33) MAOBLMNA
SCHEMBL6420017 0.78 ALDH1A1 (0.32) PDK2P2RX7
SCHEMBL6419465 0.77 PDK2 (0.36) PTGDR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL6420249 0.76 PTGDR2 (0.36) PTGDR2PDK2P2RX7LMNA
SCHEMBL6422607 0.76 P2RX7 (0.43) PTGDR2PDK2P2RX7
SCHEMBL6419294 0.75 PDK2 (0.37) PTGDR2CHRM2CHRM4CHRM5CHRM1
SCHEMBL6420512 0.74 GRIN2B (0.40) CHRM5CHRM1LMNA
SCHEMBL6422824 0.74 CHRM5 (0.41) PTGDR2CHRM5CHRM1PDK2P2RX7

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 1 patent. 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