SCHEMBL3053035

SCHEMBL3053035

NC[C@@]1(O)CC[C@H]2CCCCC2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 9/20 0.36
ATP1B1 P05026 9/20 0.36
ATP1A3 P13637 9/20 0.36
ATP1B2 P14415 9/20 0.36
ATP1A2 P50993 9/20 0.36
ATP1B3 P54709 9/20 0.36
FXYD2 P54710 9/20 0.36
ATP1A4 Q13733 9/20 0.36
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
SCHEMBL17310996 0.88 ATP1A1 (0.31) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
Hydrochloric Acid SCHEMBL17311121 0.86 ATP1A1 (0.30) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL10089209 0.79 ATP1A1 (0.33) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL11810987 0.78 ALDH1A1 (0.32) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL27651849 0.75
SCHEMBL9584454 0.72 ALDH1A1 (0.35) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL22209073 0.70 ALDH1A1 (0.42) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL8922242 0.67 ATP1A1 (0.39) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL9840935 0.67 ALDH1A1 (0.33) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL17310987 0.67 CYP1A2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143322-A1 USE OF INHIBITORS OF N-METHYL TRANSFERASES FOR THE THERAPY OF PARKINSON'S DISEASE PLT PATENT & LICENCE TRADING LTD., C/O THE B-NET (GB) 2010-06-10 US claimed
EP-1917006-A2 USE OF INHIBITORS OF N-METHYL TRANSFERASES FOR THE THERAPY OF PARKINSON'S DISEASE PLT Patent & Licence Trading Ltd. (GB) 2008-05-07 EP claimed
WO-2006136454-A2 USE OF INHIBITORS OF N-METHYL TRANSFERASES FOR THE THERAPY OF PARKINSON'S DISEASE PLT PATENT & LICENCE TRADING LTD. (GB) 2006-12-28 WO claimed
US-20100143322-A1 USE OF INHIBITORS OF N-METHYL TRANSFERASES FOR THE THERAPY OF PARKINSON'S DISEASE PLT PATENT & LICENCE TRADING LTD., C/O THE B-NET (GB) 2010-06-10 US disclosed
EP-1917006-A2 USE OF INHIBITORS OF N-METHYL TRANSFERASES FOR THE THERAPY OF PARKINSON'S DISEASE PLT Patent & Licence Trading Ltd. (GB) 2008-05-07 EP disclosed
WO-2006136454-A2 USE OF INHIBITORS OF N-METHYL TRANSFERASES FOR THE THERAPY OF PARKINSON'S DISEASE PLT PATENT & LICENCE TRADING LTD. (GB) 2006-12-28 WO disclosed