SCHEMBL9844097

SCHEMBL9844097

COc1cccc(N2CC(CCN3CCCCC3Cc3ccccc3)OC2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 16/20 0.55
ATM Q13315 1/20 0.43
FADS1 O60427 1/20 0.43

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
SCHEMBL9844288 0.91 GRM2 (0.53) GRM2
SCHEMBL9678769 0.91 GRM2 (0.55) GRM2ATMFADS1
SCHEMBL9844274 0.89 GRM2 (0.53) GRM2
SCHEMBL9844079 0.89 GRM2 (0.60) GRM2ATM
SCHEMBL9844402 0.89 GRM2 (0.44) GRM2
SCHEMBL9844472 0.85 GRM2 (0.50) GRM2
SCHEMBL9844243 0.84 GRM2 (0.42) GRM2
SCHEMBL9844084 0.83 GRM2 (0.57) GRM2
SCHEMBL9844255 0.82 GRM2 (0.52) GRM2
SCHEMBL9844356 0.82 GRM2 (0.52) GRM2ATMFADS1

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