SCHEMBL14260364

SCHEMBL14260364

C/C=C1\N[C@@H](CN)C(=O)NCCCc2ccccc2OCCN[C@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H]1C(C)C

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 19/20 0.85
▸ GHSR Q92847 1/20 0.57

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
SCHEMBL73721 0.92 MLNR (1.00) MLNR
SCHEMBL13392189 0.85 MLNR (0.87) MLNR
SCHEMBL10057876 0.85 MLNR (0.87) MLNR
SCHEMBL73811 0.85 MLNR (0.87) MLNR
SCHEMBL10019931 0.84 MLNR (0.85) MLNRGHSR
SCHEMBL73725 0.84 MLNR (1.00) MLNR
SCHEMBL75379 0.84 MLNR (0.88) MLNRGHSR
SCHEMBL75374 0.83 MLNR (1.00) MLNR
SCHEMBL75339 0.83 MLNR (0.89) MLNR
SCHEMBL73769 0.83 MLNR (0.83) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008033328-A2 MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS TRANZYME PHARMA, INC. (US) 2008-03-20 — — WO disclosed
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