SCHEMBL3949872

SCHEMBL3949872

CCOC(=O)OC1CCN(C(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.44
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6226653 0.89 HRH3 (0.37) HRH3ALDH1A1
SCHEMBL4640870 0.82
SCHEMBL1078049 0.82 ALDH1A1 (0.57) ALDH1A1
SCHEMBL9330353 0.81 SCN1A (0.49) ALDH1A1
SCHEMBL25091879 0.79 HRH3 (0.43) HRH3
SCHEMBL25121812 0.79 HRH3 (0.46) HRH3
SCHEMBL15159125 0.78 HRH3 (0.39) HRH3
SCHEMBL1078088 0.78 ALDH1A1 (0.48) ALDH1A1
SCHEMBL1076878 0.77 ALDH1A1 (0.43) ALDH1A1
SCHEMBL1080683 0.77 ALDH1A1 (0.43) ALDH1A1

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-2018387-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-28 EP disclosed
WO-2007115933-A1 THIAZOLYLDIHYDROINDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed