SCHEMBL5499199

SCHEMBL5499199

C=CCN[C@H]1CN2CCC1CC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
SIGMAR1 Q99720 1/20 0.40
CHRNA7 P36544 4/20 0.37
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
HTR1A P08908 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
SCHEMBL4274570 0.74 GAA (0.47) GAASMN1; SMN2MEN1KMT2ACA12
SCHEMBL13766485 0.74 GAA (0.47) GAASMN1; SMN2MEN1KMT2ACA12
SCHEMBL9432347 0.74 GAA (0.47) GAASMN1; SMN2MEN1KMT2ACA12
SCHEMBL19068215 0.74 GAA (0.47) GAASMN1; SMN2MEN1KMT2ACA12
Hydrochloric Acid SCHEMBL4280057 0.72 GAA (0.50) GAASMN1; SMN2MEN1KMT2ACA12
Hydrochloric Acid SCHEMBL1964942 0.72 GAA (0.50) GAASMN1; SMN2MEN1KMT2ACA12
Hydrochloric Acid SCHEMBL1963623 0.72 GAA (0.50) GAASMN1; SMN2MEN1KMT2ACA12
SCHEMBL10922476 0.71 CA12 (0.43) MEN1KMT2ACA12CA1CA2
Hydrochloric Acid SCHEMBL1967010 0.71 GAA (0.49) GAASMN1; SMN2MEN1KMT2ACA12
Hydrochloric Acid SCHEMBL1966105 0.71 GAA (0.49) GAASMN1; SMN2MEN1KMT2ACA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737854-A1 NOVEL 2-(1-AZA-BICYCLO[2.2.2]OCT-3-yl)-2,3-DIHYDROISOINDOL-l-ONE/5,6-DIHYDRO-FURO[2,3-c]PYRROL-4ONE DERIVATIVES LIGANDS FOR ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005100351-A1 NOVEL 2-(1-AZA-BICYCLO[2.2.2]OCT-3-yl)-2,3-DIHYDROISOINDOL-l-ONE/5,6-DIHYDRO-FURO[2,3-c]PYRROL-4ONE DERIVATIVES LIGANDS FOR ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ASTRAZENECA AB (SE) 2005-10-27 WO disclosed