SCHEMBL9678352

SCHEMBL9678352

COc1cccc(N2CC(CN3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)OC2=O)c1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.65

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
SCHEMBL9677858 0.93 SIGMAR1 (0.76) SIGMAR1
SCHEMBL9677256 0.92 SIGMAR1 (0.60) SIGMAR1
SCHEMBL9844284 0.92 SIGMAR1 (0.54) SIGMAR1
SCHEMBL9678817 0.92 SIGMAR1 (0.74) SIGMAR1
SCHEMBL9677766 0.90 SIGMAR1 (0.69) SIGMAR1
SCHEMBL9676109 0.90 SIGMAR1 (0.56) SIGMAR1
SCHEMBL9677816 0.89 SIGMAR1 (0.67) SIGMAR1
SCHEMBL9679057 0.89 SIGMAR1 (0.82) SIGMAR1
SCHEMBL9676995 0.88 SIGMAR1 (0.64) SIGMAR1
SCHEMBL9678606 0.87 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300272-B1 OXAZOLIDINONES MERCK PATENT GmbH (DE) 1992-09-16 EP disclosed
US-4970217-A NEUROLEPTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-11-13 US disclosed
EP-0300272-A1 Oxazolidinones MERCK PATENT GmbH (DE) 1989-01-25 EP disclosed