SCHEMBL3884631

SCHEMBL3884631

CC(C)(COC(C=O)N1CCC(O)CC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.36
MAPT P10636 1/20 0.34

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
SCHEMBL27735076 0.83 KCNA3 (0.38) KCNA3
SCHEMBL27735073 0.77 HSP90AA1 (0.38) KCNA3
SCHEMBL22459076 0.72
SCHEMBL4128034 0.72 ALDH1A1 (0.50)
SCHEMBL3887197 0.71 KCNA3 (0.51) KCNA3
SCHEMBL3887179 0.71 CXCR4 (0.37) MAPT
SCHEMBL12066456 0.66 KCNA3 (0.47) KCNA3
SCHEMBL3895460 0.66 SLC6A2 (0.37)
SCHEMBL24451199 0.65 TAAR1 (0.48)
SCHEMBL15019024 0.64 ACHE (0.40)

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-2013197-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 WO disclosed