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SCHEMBL17253131

SCHEMBL17253131

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](CCCNC(=O)OCC2c3ccccc3-c3ccc(S(=O)(=O)O)cc32)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 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.79
▸ DRD1 P21728 1/20 0.79
▸ PTGS1 P23219 1/20 0.79
▸ PDE4A P27815 1/20 0.79
▸ ITGB3 P05106 2/20 0.36
▸ ITGAV P06756 2/20 0.36
▸ ALB P02768 1/20 0.36
▸ PRLHR P49683 2/20 0.35
▸ KCNMA1 Q12791 1/20 0.35
▸ KCNMB4 Q86W47 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ F11 P03951 1/20 0.35
▸ TSLP Q969D9 3/20 0.34
▸ EPHA2 P29317 1/20 0.34
▸ GLP1R P43220 1/20 0.34
▸ NPR1 P16066 1/20 0.34
▸ NPR3 P17342 1/20 0.34
▸ RXFP4 Q8TDU9 1/20 0.34
▸ RXFP3 Q9NSD7 1/20 0.34
▸ KEAP1 Q14145 1/20 0.34

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
SCHEMBL17253126 0.94 CTSL (0.68) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL17253340 0.94 CTSL (0.68) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL17253125 0.91 CTSL (0.68) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL8221784 0.91 CTSL (0.80) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL17253267 0.91 CTSL (0.63) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL8221933 0.90 CTSL (0.86) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL8230311 0.89 CTSL (0.96) CTSLDRD1PTGS1PDE4AITGB3
SCHEMBL14564321 0.89 CTSL (0.91) CTSLDRD1PTGS1PDE4AITGB3
Daptomycin SCHEMBL23046993 0.88 CTSL (1.00) CTSLDRD1PTGS1PDE4AITGB3
Daptomycin SCHEMBL16274142 0.88 CTSL (1.00) CTSLDRD1PTGS1PDE4AITGB3

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
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