SCHEMBL5015836

SCHEMBL5015836

CCOCCN(C)CCCCCCO[C@H]1CC[C@H](CCCN)CC1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
SIGMAR1 Q99720 2/20 0.32
LSS P48449 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
SCHEMBL5015837 1.00 CHRM2 (0.38) CHRM2SIGMAR1LSS
SCHEMBL4805347 0.88 CHRM2 (0.39) CHRM2SIGMAR1LSS
SCHEMBL4805353 0.88 CHRM2 (0.39) CHRM2SIGMAR1LSS
SCHEMBL7207712 0.77 CHRM2 (0.35) CHRM2LSS
SCHEMBL7210755 0.77 CHRM2 (0.35) CHRM2LSS
SCHEMBL7209024 0.77 CHRM2 (0.35) CHRM2LSS
SCHEMBL7210752 0.77 CHRM2 (0.35) CHRM2LSS
SCHEMBL7209027 0.77 CHRM2 (0.35) CHRM2LSS
SCHEMBL7207709 0.77 CHRM2 (0.35) CHRM2LSS
SCHEMBL4800942 0.76 CHRM2 (0.34) CHRM2LSS

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
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed