SCHEMBL4436681

SCHEMBL4436681

C[C@@H](N)C(=O)N[C@@H](Cc1cccnc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR132 Q9UNW8 5/20 0.51
▸ TBXAS1 P24557 2/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ CMKLR2 P46091 1/20 0.48
▸ CMKLR1 Q99788 1/20 0.48
▸ MME P08473 5/20 0.48
▸ ACE P12821 2/20 0.48
▸ CPA1 P15085 2/20 0.48
▸ ACE2 Q9BYF1 2/20 0.48
▸ CTRB1 P17538 3/20 0.48
▸ FOLH1 Q04609 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL4198783 0.88 GPR132 (0.52) GPR132TBXAS1MMP9MMP8CMKLR2
SCHEMBL31734668 0.85 GPR132 (0.52) GPR132MMP9MMP8CMKLR2CMKLR1
SCHEMBL29930986 0.85 ECE1 (0.51) GPR132CMKLR2CMKLR1MMEFOLH1
Alanyl-Dl-Phenylalanine SCHEMBL893241 0.84 MME (0.65) MMEACECPA1ACE2CTRB1
Alanyl-Dl-Phenylalanine SCHEMBL4238049 0.84 MME (0.65) MMEACECPA1ACE2CTRB1
Alanyl-Dl-Phenylalanine SCHEMBL27689824 0.84 MME (0.65) MMEACECPA1ACE2CTRB1
Alanyl-Dl-Phenylalanine SCHEMBL893240 0.84 MME (0.65) MMEACECPA1ACE2CTRB1
Alanyl-Dl-Phenylalanine SCHEMBL28142228 0.84 MME (0.65) MMEACECPA1ACE2CTRB1
Alanyl-Dl-Phenylalanine SCHEMBL28743188 0.84 MME (0.65) MMEACECPA1ACE2CTRB1
Alanyl-Dl-Phenylalanine SCHEMBL28127119 0.84 MME (0.65) MMEACECPA1ACE2CTRB1

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
US-7531507-B2 Acylated nonadepsipeptides containing pyridyl alanine residues AICURIS GMBH & CO. KG (DE) 2009-05-12 — — US disclosed
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