SCHEMBL13813178

SCHEMBL13813178

CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCOC1=O

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 20/20 0.83

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
SCHEMBL73309 0.91 MLNR (1.00) MLNR
SCHEMBL13696453 0.84 MLNR (0.85) MLNR
SCHEMBL12219741 0.84 MLNR (0.89) MLNR
SCHEMBL73723 0.84 MLNR (0.89) MLNR
SCHEMBL75379 0.83 MLNR (0.88) MLNR
SCHEMBL73793 0.83 MLNR (0.88) MLNR
SCHEMBL13392513 0.82 MLNR (1.00) MLNR
SCHEMBL74022 0.82 MLNR (0.83) MLNR
SCHEMBL73791 0.82 MLNR (1.00) MLNR
SCHEMBL13392510 0.82 MLNR (0.82) MLNR

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
US-7550431-B2 Spatially-defined macrocycles incorporating peptide bond surrogates TRANZYME PHARMA INC. (CA) 2009-06-23 — — US disclosed
US-7550431-B2 Spatially-defined macrocycles incorporating peptide bond surrogates TRANZYME PHARMA INC. (CA) 2009-06-23 — — US disclosed
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