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Sugi Predict / Compounds / SCHEMBL13010997

SCHEMBL13010997

SCHEMBL13010997

C=C1N[C@@H](CC2CC2)C(=O)NC[C@@H](C)Cc2ccccc2OCCN[C@H](Cc2cccc(Cl)c2)C(=O)N[C@@H]1C(C)C

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 18/20 0.60
▸ GHSR Q92847 2/20 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
SCHEMBL74404 0.94 MLNR (0.68) MLNRGHSR
SCHEMBL11982865 0.94 MLNR (0.68) MLNRGHSR
SCHEMBL12658046 0.94 MLNR (0.68) MLNRGHSR
SCHEMBL11982870 0.88 MLNR (0.66) MLNRGHSR
SCHEMBL11982869 0.88 MLNR (0.66) MLNRGHSR
SCHEMBL12658202 0.87 MLNR (0.65) MLNRGHSR
SCHEMBL91166 0.86 MLNR (0.58) MLNRGHSR
SCHEMBL13010976 0.86 MLNR (0.58) MLNRGHSR
SCHEMBL11982866 0.85 MLNR (0.62) MLNRGHSR
SCHEMBL13392523 0.85 MLNR (0.62) MLNRGHSR

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
EP-1648922-B1 SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY TRANZYME PHARMA INC (CA) 2010-12-01 — — EP disclosed