SCHEMBL14011125

SCHEMBL14011125

CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2cccc(F)c2)NCCOc2ccccc2CCCNC1=O

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 19/20 0.84
▸ GHSR Q92847 1/20 0.69

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
SCHEMBL12220294 0.93 MLNR (0.87) MLNRGHSR
SCHEMBL73759 0.92 MLNR (0.85) MLNRGHSR
SCHEMBL73793 0.92 MLNR (0.88) MLNRGHSR
SCHEMBL73745 0.91 MLNR (0.82) MLNR
SCHEMBL73797 0.91 MLNR (0.85) MLNR
SCHEMBL75370 0.91 MLNR (0.85) MLNR
SCHEMBL13392520 0.91 MLNR (0.76) MLNR
SCHEMBL73308 0.90 MLNR (0.85) MLNRGHSR
SCHEMBL74135 0.89 MLNR (1.00) MLNRGHSR
SCHEMBL73783 0.89 MLNR (0.84) 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-7452862-B2 Conformationally-controlled biologically active macrocyclic small molecules as motilin antagonists or ghrelin agonists TRANZYME PHARMA, INC. (CA) 2008-11-18 — — US disclosed
US-7452862-B2 Conformationally-controlled biologically active macrocyclic small molecules as motilin antagonists or ghrelin agonists TRANZYME PHARMA, INC. (CA) 2008-11-18 — — US disclosed
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