SCHEMBL1837993

SCHEMBL1837993

COc1ccc2ncc3c(c2n1)C[C@H](CNC[C@H]1COC(=O)N1c1ccc2c(c1)NC(=O)CS2)CN3

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL1948436 0.86 KCNH2 (0.41)
SCHEMBL1949983 0.86 KCNH2 (0.41)
SCHEMBL1948434 0.86 KCNH2 (0.41)
SCHEMBL1841031 0.86 KCNH2 (0.41)
SCHEMBL3630490 0.81 KCNH2 (0.37)
SCHEMBL3659151 0.81 KCNH2 (0.37)
SCHEMBL3628040 0.78 KCNH2 (0.36)
SCHEMBL3632180 0.78 KCNH2 (0.38)
SCHEMBL3662191 0.78 KCNH2 (0.39)
SCHEMBL3628396 0.78 KCNH2 (0.43)

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
JP-2011529960-A 2011-12-15 JP claimed
EP-2321307-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-05-18 EP claimed
WO-2010015985-A1 TRICYCLIC ALKYLAMINOMETHYLOXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-02-11 WO claimed