SCHEMBL8986413

SCHEMBL8986413

COCC1CN(c2ccc(C3CCC(OC)CC3)cc2)C(=O)O1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.47
SIGMAR1 Q99720 1/20 0.46
F10 P00742 1/20 0.43
MAOA P21397 1/20 0.42

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
SCHEMBL7302920 1.00 GRM2 (0.47) GRM2SIGMAR1F10MAOA
SCHEMBL5617993 1.00 GRM2 (0.47) GRM2SIGMAR1F10MAOA
SCHEMBL5617991 1.00 GRM2 (0.47) GRM2SIGMAR1F10MAOA
SCHEMBL7302909 1.00 GRM2 (0.47) GRM2SIGMAR1F10MAOA
SCHEMBL7299934 0.94 GRM2 (0.52) GRM2SIGMAR1F10MAOA
SCHEMBL7299930 0.94 GRM2 (0.52) GRM2SIGMAR1F10MAOA
SCHEMBL5634033 0.88 SIGMAR1 (0.48) GRM2SIGMAR1F10
SCHEMBL7309920 0.88 GRM2 (0.47) GRM2SIGMAR1F10
SCHEMBL5634028 0.88 SIGMAR1 (0.48) GRM2SIGMAR1F10
SCHEMBL5617533 0.88 SIGMAR1 (0.48) GRM2SIGMAR1F10

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
US-5574055-A COGNITIVE AND NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 1996-11-12 US disclosed