SCHEMBL9844117

SCHEMBL9844117

COc1cccc(N2CC(CCN3CCC(O)(c4ccc(F)cc4)CC3)OC2=O)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.68
GRM2 Q14416 1/20 0.54
FADS1 O60427 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
SCHEMBL9844070 0.94 SIGMAR1 (0.68) SIGMAR1GRM2
SCHEMBL9844085 0.92 SIGMAR1 (0.68) SIGMAR1GRM2
SCHEMBL9844036 0.91 SIGMAR1 (0.68) SIGMAR1GRM2
SCHEMBL9679014 0.91 SIGMAR1 (0.81) SIGMAR1
SCHEMBL9844315 0.90 SIGMAR1 (0.83) SIGMAR1
SCHEMBL9844376 0.90 SIGMAR1 (0.83) SIGMAR1
SCHEMBL9844316 0.89 SIGMAR1 (0.57) SIGMAR1GRM2
SCHEMBL9844250 0.88 SIGMAR1 (0.66) SIGMAR1GRM2
SCHEMBL9844292 0.88 SIGMAR1 (0.65) SIGMAR1
SCHEMBL9844261 0.87 SIGMAR1 (0.63) 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