SCHEMBL9955837

SCHEMBL9955837

CN(C)CC1C(=O)CCC(C)(C)C1=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
HTR2A P28223 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL8161986 0.80 MAPT (0.45) MAPT
SCHEMBL8059320 0.79 MAPT (0.34) MAPT
SCHEMBL25259165 0.76 MAPT (0.32) MAPT
SCHEMBL9240267 0.71 ALDH1A1 (0.36) MAPTHTR2AHRH1
SCHEMBL26724015 0.71 CA1 (0.39) MAPTHTR2AHRH1
SCHEMBL18734478 0.69 METAP1 (0.35)
SCHEMBL9955958 0.68 MAPT (0.61) MAPT
SCHEMBL8054703 0.67 CA1 (0.30)
SCHEMBL5199761 0.67 METAP1 (0.33)
SCHEMBL15717523 0.67 METAP1 (0.33) MAPT

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-2012085166-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 WO disclosed