Sugi Predict

Sugi Predict / Compounds / SCHEMBL6293639

SCHEMBL6293639

SCHEMBL6293639

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=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]([C]=O)CC(=O)O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.59
▸ NPY4R P50391 8/20 0.59
▸ NPY5R Q15761 8/20 0.59
▸ NPY1R P25929 6/20 0.59
▸ KISS1R Q969F8 5/20 0.56
▸ KEAP1 Q14145 1/20 0.54
▸ CXCR4 P61073 3/20 0.54
▸ CAPN1 P07384 2/20 0.51
▸ CTSB P07858 2/20 0.51
▸ EED O75530 1/20 0.51

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 0.98 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RKISS1R
SCHEMBL5710716 0.97 NPY2R (0.58) NPY2RNPY4RNPY5RNPY1RKISS1R
SCHEMBL5710842 0.87 CXCR4 (0.60) NPY2RNPY4RNPY5RNPY1RKISS1R
SCHEMBL30085016 0.86 CXCR4 (0.57) NPY2RNPY4RNPY5RNPY1RKISS1R
SCHEMBL29445593 0.84 KISS1R (0.61) NPY2RNPY4RNPY5RNPY1RKISS1R
SCHEMBL27869302 0.84 ERAP2 (0.54) KISS1R
SCHEMBL31174219 0.83 CXCR4 (0.58) NPY2RNPY4RNPY5RNPY1RKEAP1
SCHEMBL30262240 0.82 NPY1R (0.61) NPY2RNPY4RNPY5RNPY1RKISS1R
SCHEMBL29811065 0.82 NPY2R (0.71) NPY2RNPY4RNPY5RNPY1R
SCHEMBL31182843 0.82 F2 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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