Sugi Predict

Sugi Predict / Compounds / SCHEMBL5710716

SCHEMBL5710716

SCHEMBL5710716

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]([C]=O)CCCCN)[C@@H](C)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 5/20 0.58
▸ NPY4R P50391 5/20 0.58
▸ NPY5R Q15761 5/20 0.58
▸ NPY1R P25929 4/20 0.58
▸ KISS1R Q969F8 5/20 0.56
▸ CXCR4 P61073 5/20 0.54
▸ KEAP1 Q14145 1/20 0.54
▸ CAPN1 P07384 2/20 0.52
▸ CTSB P07858 2/20 0.52
▸ TACR1 P25103 1/20 0.50
▸ NTSR2 O95665 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ SORT1 Q99523 1/20 0.50

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
SCHEMBL5710742 0.99 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RKISS1R
SCHEMBL6293639 0.97 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RKISS1R
SCHEMBL5710842 0.89 CXCR4 (0.60) NPY2RNPY4RNPY5RNPY1RKISS1R
SCHEMBL30085016 0.84 CXCR4 (0.57) NPY2RNPY4RNPY5RNPY1RKISS1R
SCHEMBL30262240 0.84 NPY1R (0.61) NPY2RNPY4RNPY5RNPY1RKISS1R
SCHEMBL29445593 0.83 KISS1R (0.61) NPY2RNPY4RNPY5RNPY1RKISS1R
SCHEMBL31174219 0.83 CXCR4 (0.58) NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL31235881 0.83 DPP3 (0.57) CXCR4CAPN1CTSBNTSR2NTSR1
SCHEMBL27869302 0.83 ERAP2 (0.54) KISS1R
SCHEMBL29695518 0.82 CXCR4 (0.64) NPY2RNPY4RNPY5RNPY1RKISS1R

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104768-B1 Peptide sequences from aspergillus fumigatus for the diagnosis of aspergillosis COUNCIL SCIENT IND RES (IN) 2006-11-29 — — EP disclosed
US-6902901-B2 Polypeptides useful for diagnosis of Aspergillus fumigatus and a process of preparing the same COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-06-07 — — US disclosed
US-20020061544-A1 Novel polypeptides useful for diagnosis of Aspergillus fumigatus and a process of preparing the same COUNCIL OF SCIENTIFIC INDUSTRIAL RESEARCH 2002-05-23 — — US disclosed
US-6262231-B1 POLYPEPTIDES USED FOR IDENTIFICATION AND PURIFICATION OF DIAGNOSTICALLY RELEVANT ALLERGENS AND ANTIGENS OF ASPERGILLUS FUMIGATUS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2001-07-17 — — US disclosed
EP-1104768-A1 Peptide sequences from aspergillus fumigatus for the diagnosis of aspergillosis Council of Scientific and Industrial Research (IN) 2001-06-06 — — EP disclosed
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