SCHEMBL13804282

SCHEMBL13804282

CCN[C@@H]1CC[C@H](C(=O)OC)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KCNH2 Q12809 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
PDE7A Q13946 1/20 0.34
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL13804385 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL13804289 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL13804258 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1722156 0.90 GAA (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1722155 0.90 GAA (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL17778099 0.89 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL12997498 0.80 PLG (0.38) GAAKCNH2ALDH1A1
SCHEMBL13804255 0.80 PLG (0.38) GAAKCNH2ALDH1A1
SCHEMBL13804198 0.80 PLG (0.38) GAAKCNH2ALDH1A1
SCHEMBL13804203 0.80 PLG (0.38) GAAKCNH2ALDH1A1

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
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed