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SCHEMBL21569982

SCHEMBL21569982

CNc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)N(C)C(=O)[C@@]3(C)CCC[C@]4(C)c5cc(O)ccc5CC[C@@H]34)[C@]1(C)CC2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 19/20 0.54
▸ NR1H3 Q13133 19/20 0.54
▸ SOD1 P00441 1/20 0.46

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
SCHEMBL21570035 0.91 NR1H2 (0.42) NR1H2NR1H3SOD1
SCHEMBL21569788 0.89 NR1H2 (0.53) NR1H2NR1H3SOD1
SCHEMBL21569906 0.88 NR1H2 (0.48) NR1H2NR1H3SOD1
SCHEMBL29292405 0.87 NR1H2 (0.49) NR1H2NR1H3SOD1
SCHEMBL29292436 0.86 NR1H2 (0.51) NR1H2NR1H3SOD1
SCHEMBL21569771 0.85 NR1H2 (0.42) NR1H2NR1H3
SCHEMBL21569812 0.85 NR1H2 (0.47) NR1H2NR1H3SOD1
SCHEMBL22224416 0.84 NR1H2 (0.45) NR1H2NR1H3SOD1
SCHEMBL21569787 0.84 NR1H2 (0.46) NR1H2NR1H3SOD1
SCHEMBL22224174 0.83 NR1H2 (0.45) NR1H2NR1H3SOD1

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
WO-2019217591-A1 ANTI-MSR1 ANTIBODIES AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-11-14 — — WO disclosed
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