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Sugi Predict / Compounds / SCHEMBL30085016

SCHEMBL30085016

SCHEMBL30085016

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.57
▸ NTSR2 O95665 1/20 0.55
▸ NTSR1 P30989 1/20 0.55
▸ SORT1 Q99523 1/20 0.55
▸ KISS1R Q969F8 4/20 0.55
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ NPY5R Q15761 1/20 0.54
▸ F13A1 P00488 2/20 0.54
▸ TGM2 P21980 2/20 0.54
▸ IL23R Q5VWK5 1/20 0.53
▸ CAPN1 P07384 2/20 0.53
▸ CTSB P07858 2/20 0.53
▸ KEAP1 Q14145 1/20 0.53
▸ EED O75530 1/20 0.52
▸ MAGI3 Q5TCQ9 1/20 0.51
▸ CCKBR P32239 2/20 0.51
▸ GLP1R P43220 2/20 0.51
▸ MAPK8 P45983 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
SCHEMBL31174219 0.88 CXCR4 (0.58) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30512719 0.87 CXCR4 (0.62) CXCR4KISS1RNPY1RNPY2RNPY4R
SCHEMBL31182634 0.86 CXCR4 (0.60) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL5710842 0.86 CXCR4 (0.60) CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL6293639 0.86 NPY2R (0.59) CXCR4KISS1RNPY1RNPY2RNPY4R
SCHEMBL5710742 0.85 NPY2R (0.59) CXCR4KISS1RNPY1RNPY2RNPY4R
SCHEMBL30262240 0.85 NPY1R (0.61) CXCR4KISS1RNPY1RNPY2RNPY4R
SCHEMBL30729468 0.85 NPY1R (0.61) CXCR4KISS1RNPY1RNPY2RNPY4R
SCHEMBL30436604 0.85 CXCR4 (0.63) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL5710716 0.84 NPY2R (0.58) CXCR4NTSR2NTSR1SORT1KISS1R

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
EP-4090383-A2 IL2 ORTHOLOGS AND METHODS OF USE Synthekine, Inc. (US) 2022-11-23 — — EP disclosed
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