SCHEMBL9844085

SCHEMBL9844085

COc1cccc(N2CC(CCN3CCC(O)(c4ccccc4)CC3)OC2=O)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 17/20 0.68
GRM2 Q14416 2/20 0.56
HTR7 P34969 1/20 0.50

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
SCHEMBL9844070 0.94 SIGMAR1 (0.68) SIGMAR1GRM2HTR7
SCHEMBL9844117 0.92 SIGMAR1 (0.68) SIGMAR1GRM2
SCHEMBL9844036 0.92 SIGMAR1 (0.68) SIGMAR1GRM2
SCHEMBL9502924 0.91 SIGMAR1 (0.82) SIGMAR1GRM2
SCHEMBL9679057 0.91 SIGMAR1 (0.82) SIGMAR1GRM2
SCHEMBL9844324 0.91 SIGMAR1 (0.76) SIGMAR1GRM2
SCHEMBL9844284 0.89 SIGMAR1 (0.54) SIGMAR1GRM2
SCHEMBL9844046 0.89 MAOA (0.57) SIGMAR1GRM2
SCHEMBL9844250 0.88 SIGMAR1 (0.66) SIGMAR1GRM2
SCHEMBL9844032 0.88 SIGMAR1 (0.65) SIGMAR1GRM2

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-0443197-A2 Oxazolidinones MERCK PATENT GmbH (DE) 1991-08-28 EP disclosed