SCHEMBL12801526

SCHEMBL12801526

CCC(C)N1CC(OC)C1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 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
SCHEMBL21779953 0.84 HRH3 (0.43) HRH3
SCHEMBL21779876 0.84 HRH3 (0.43) HRH3
SCHEMBL13591256 0.79
SCHEMBL13101427 0.78 HRH3 (0.49) HRH3
SCHEMBL21871391 0.78 HRH3 (0.43) HRH3
SCHEMBL681129 0.75
SCHEMBL23777260 0.74 HRH3 (0.33) HRH3
SCHEMBL25921399 0.74
SCHEMBL11458990 0.74 HRH3 (0.31) HRH3
SCHEMBL18612458 0.74 KDM4E (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed