SCHEMBL9978382

SCHEMBL9978382

COCCCOc1cc(C[C@@H](C/C=C/C[C@H](C(N)=O)C(C)C)C(C)C)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.58

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
SCHEMBL9978449 0.92 REN (0.56) REN
SCHEMBL9978360 0.92 REN (0.54) REN
SCHEMBL9978743 0.92 REN (0.56) REN
SCHEMBL9978447 0.92 REN (0.56) REN
SCHEMBL9978514 0.92 REN (0.54) REN
SCHEMBL4456020 0.92 REN (0.54) REN
SCHEMBL4456027 0.92 REN (0.54) REN
SCHEMBL9978494 0.90 REN (0.54) REN
SCHEMBL9978492 0.90 REN (0.54) REN
SCHEMBL2431426 0.89 REN (0.53) REN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011148392-A1 PROCESS FOR THE PREPARATION OF (2S,4S,5S,7S)-N-(2-CARBAMYL-2- METHYLPROPYL)-5-AMINO-4-HYDROXY-2,7-DIISOPROPYL-8-[4-METHOXY-3-(3- METHOXYPROPOXY)PHENYL]-OCTANAMIDE HEMIFUMARATE AND ITS INTERMEDIATES THEREOF MSN LABORATORIES LIMITED (IN) 2011-12-01 WO claimed
WO-2011148392-A1 PROCESS FOR THE PREPARATION OF (2S,4S,5S,7S)-N-(2-CARBAMYL-2- METHYLPROPYL)-5-AMINO-4-HYDROXY-2,7-DIISOPROPYL-8-[4-METHOXY-3-(3- METHOXYPROPOXY)PHENYL]-OCTANAMIDE HEMIFUMARATE AND ITS INTERMEDIATES THEREOF MSN LABORATORIES LIMITED (IN) 2011-12-01 WO disclosed