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Sugi Predict / Compounds / SCHEMBL18117477

SCHEMBL18117477

SCHEMBL18117477

CCC[C@@H]1NC(=O)[C@@](C)(C(C)C)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCCOc2ccccc2CCCNC1=O

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 7/20 0.75
▸ GHSR Q92847 13/20 0.65

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
SCHEMBL74135 0.85 MLNR (1.00) MLNRGHSR
SCHEMBL17243935 0.85 GHSR (0.69) MLNRGHSR
SCHEMBL73745 0.78 MLNR (0.82) MLNR
SCHEMBL75318 0.77 MLNR (0.85) MLNRGHSR
SCHEMBL73783 0.77 MLNR (0.84) MLNR
SCHEMBL73793 0.77 MLNR (0.88) MLNRGHSR
SCHEMBL15139386 0.76 GHSR (0.67) MLNRGHSR
SCHEMBL14011125 0.76 MLNR (0.84) MLNRGHSR
SCHEMBL10051717 0.76 MLNR (0.82) MLNR
SCHEMBL12220294 0.76 MLNR (0.87) 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-2210612-B1 Macrocyclic antagonists of the motilin receptor OCERA THERAPEUTICS INC (US) 2016-10-05 — — EP disclosed