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Daptomycin

Daptomycin

SCHEMBL17253124

CCCCCCCCCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 1.00
▸ DRD1 P21728 1/20 1.00
▸ PTGS1 P23219 1/20 1.00
▸ PDE4A P27815 1/20 1.00
▸ F2 P00734 1/20 0.40
▸ EPHA2 P29317 2/20 0.39
▸ KEAP1 Q14145 2/20 0.38
▸ KCNMA1 Q12791 1/20 0.38
▸ KCNMB4 Q86W47 1/20 0.38
▸ ALB P02768 1/20 0.37
▸ F11 P03951 1/20 0.37
▸ KRAS P01116 1/20 0.37
▸ SSTR2 P30874 1/20 0.37
▸ TSLP Q969D9 1/20 0.36
▸ SHH Q15465 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ NECTIN4 Q96NY8 2/20 0.36
▸ OXTR P30559 1/20 0.36
▸ ESR1 P03372 1/20 0.36

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
Daptomycin SCHEMBL28102 1.00 CTSL (1.00) CTSLDRD1PTGS1PDE4AF2
Daptomycin SCHEMBL28103 1.00 CTSL (1.00) CTSLDRD1PTGS1PDE4AF2
Daptomycin SCHEMBL13491700 1.00 CTSL (1.00) CTSLDRD1PTGS1PDE4AF2
Daptomycin SCHEMBL8221760 1.00 CTSL (1.00) CTSLDRD1PTGS1PDE4AF2
Daptomycin SCHEMBL8227262 1.00 CTSL (1.00) CTSLDRD1PTGS1PDE4AF2
Daptomycin SCHEMBL23046993 1.00 CTSL (1.00) CTSLDRD1PTGS1PDE4AF2
Daptomycin SCHEMBL17351683 1.00 CTSL (1.00) CTSLDRD1PTGS1PDE4AF2
Daptomycin SCHEMBL2724847 1.00 CTSL (1.00) CTSLDRD1PTGS1PDE4AF2
Daptomycin SCHEMBL21402170 1.00 CTSL (1.00) CTSLDRD1PTGS1PDE4AF2
Daptomycin SCHEMBL16274142 1.00 CTSL (1.00) CTSLDRD1PTGS1PDE4AF2

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-2015172047-A1 CYCLIC PEPTIDE COMPOUNDS AND RELATED METHODS, SALTS AND COMPOSITIONS MERCK SHARP & DOHME CORP. (US) 2015-11-12 — — WO disclosed