SCHEMBL3428005

SCHEMBL3428005

COc1ccc2ncnc(O[C@@H]3CN(C[C@@H]4CN(c5ccc6c(c5)NC(=O)CS6)C(=O)O4)C[C@H]3O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 18/20 0.38

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
SCHEMBL18255967 1.00 SIGMAR1 (0.38) SIGMAR1
SCHEMBL18255978 1.00 SIGMAR1 (0.38) SIGMAR1
SCHEMBL3400424 1.00 SIGMAR1 (0.38) SIGMAR1
SCHEMBL18255973 0.92 SIGMAR1 (0.37) SIGMAR1
SCHEMBL18255971 0.92 SIGMAR1 (0.37) SIGMAR1
SCHEMBL18255976 0.90 SIGMAR1 (0.36) SIGMAR1
SCHEMBL18255977 0.90 SIGMAR1 (0.36) SIGMAR1
SCHEMBL18255980 0.89 SIGMAR1 (0.35) SIGMAR1
SCHEMBL18255979 0.89 SIGMAR1 (0.35) SIGMAR1
SCHEMBL632598 0.88 SIGMAR1 (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US claimed
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 US disclosed
EP-2245028-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-03 EP disclosed
WO-2009077989-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed