SCHEMBL8733371

SCHEMBL8733371

COc1cccc(CC(O)CN2CCC(c3ccccc3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.61
GAA P10253 1/20 0.57
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.50
GRIN2B Q13224 1/20 0.50

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
SCHEMBL8734239 0.87 SLC18A3 (0.72) SLC18A3DRD4GRIN2B
SCHEMBL8734798 0.83 SLC18A3 (0.66) SLC18A3DRD2GRIN2B
SCHEMBL9341163 0.82 SLC18A3 (0.65) SLC18A3DRD2GRIN2B
SCHEMBL8734255 0.82 SLC18A3 (0.76) SLC18A3DRD2GRIN2B
SCHEMBL8734718 0.81 SLC18A3 (0.70) SLC18A3MEN1KMT2ADRD2GRIN2B
SCHEMBL8937206 0.77 SLC18A3 (0.79) SLC18A3GRIN2B
SCHEMBL28076704 0.77 GAA (0.56) GAAMEN1KMT2ATDP1DRD4
SCHEMBL8736265 0.77 SLC18A3 (0.55) SLC18A3DRD2GRIN2B
SCHEMBL7544920 0.76 SLC18A3 (0.77) SLC18A3GRIN2B
SCHEMBL8736183 0.76 SLC18A3 (1.00) SLC18A3GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5721243-A ANTICHOLINERGIC AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-02-24 US disclosed
EP-0576611-A4 RADIOPHARMACEUTICAL AGENTS FOR THE DETECTION OF ALZHEIMER'S DISEASE UNIV MINNESOTA (US) 1996-01-24 EP disclosed
US-5358712-A For binding to receptors when monitoring for cholinergic innervation in living brains, detection of Alzheimer*s disease REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-10-25 US disclosed
EP-0576611-A1 RADIOPHARMACEUTICAL AGENTS FOR THE DETECTION OF ALZHEIMER'S DISEASE THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1994-01-05 EP disclosed
WO-1992016239-A1 RADIOPHARMACEUTICAL AGENTS FOR THE DETECTION OF ALZHEIMER'S DISEASE THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1992-10-01 WO disclosed