SCHEMBL9844217

SCHEMBL9844217

COc1ccc(N2CC(CCCN3CCC(O)(c4ccccc4)CC3)OC2=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.79
GRM2 Q14416 1/20 0.57
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL9844208 0.95 SIGMAR1 (0.78) SIGMAR1GRM2
SCHEMBL9502924 0.94 SIGMAR1 (0.82) SIGMAR1GRM2
SCHEMBL9844444 0.91 SIGMAR1 (0.80) SIGMAR1
SCHEMBL9844505 0.91 SIGMAR1 (0.80) SIGMAR1
SCHEMBL9844324 0.91 SIGMAR1 (0.76) SIGMAR1GRM2
SCHEMBL9844410 0.89 SIGMAR1 (0.81) SIGMAR1GRM2
SCHEMBL9677099 0.89 SIGMAR1 (1.00) SIGMAR1
SCHEMBL9844495 0.87 SIGMAR1 (0.61) SIGMAR1ALDH1A1
SCHEMBL9844061 0.85 SIGMAR1 (0.83) SIGMAR1
SCHEMBL9844376 0.85 SIGMAR1 (0.83) SIGMAR1

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