SCHEMBL28066552

SCHEMBL28066552

CC(C)N[C@@H](Cc1ccccc1)C(=O)O.N[C@@H](Cc1ccc2ccccc2c1)C(=O)O.N[C@H](Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.53
▸ ACE P12821 4/20 0.53
▸ CPA1 P15085 2/20 0.53
▸ ACE2 Q9BYF1 2/20 0.53
▸ ALPI P09923 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ XIAP P98170 1/20 0.52
▸ SLC7A5 Q01650 1/20 0.52
▸ TPH1 P17752 8/20 0.51
▸ OPRD1 P41143 1/20 0.49
▸ LTA4H P09960 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ CA2 P00918 1/20 0.48

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
SCHEMBL28077591 0.96 MME (0.49) MMEACECPA1ACE2ALPI
SCHEMBL13957286 0.90 MME (0.62) MMEACECPA1ACE2HTR2A
SCHEMBL16252292 0.90 MME (0.62) MMEACECPA1ACE2HTR2A
Phenylalanine SCHEMBL27785427 0.86 SLC7A5 (0.71) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL24766201 0.83 MME (0.65) MMEACECPA1ACE2CA2
Alanine SCHEMBL28096571 0.83 HTR2A (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL93304 0.83 SLC7A5 (0.65) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL29584308 0.83 SLC7A5 (0.65) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL837890 0.83 SLC7A5 (0.65) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL93303 0.83 SLC7A5 (0.65) ALPIPKMPTGS1XIAPSLC7A5

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
CN-103601792-B It is effective to the guanylate cyclase agonist of gastrointestinal dysfunction, inflammation, cancer and other diseases treatment 协同医药品公司 2016-06-29 — — CN disclosed
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