Sugi Predict

Sugi Predict / Compounds / SCHEMBL30648479

SCHEMBL30648479

SCHEMBL30648479

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)C(C)C)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.59
▸ NPY2R P49146 8/20 0.58
▸ NPY4R P50391 8/20 0.58
▸ NPY5R Q15761 8/20 0.58
▸ NPY1R P25929 6/20 0.58
▸ MAPK8 P45983 1/20 0.54
▸ MAPK9 P45984 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ CXCR4 P61073 1/20 0.53

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
SCHEMBL30304242 0.88 OPRD1 (0.60) CALCR
SCHEMBL30262225 0.87 CALCR (0.64) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30176420 0.87 NPY2R (0.68) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30262139 0.86 CALCR (0.59) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182798 0.86 CALCR (0.64) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29695551 0.85 CALCR (0.62) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30437207 0.85 CALCR (0.61) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30576916 0.85 NPY2R (0.55) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567771 0.85 CALCR (0.64) CALCRCXCR4
SCHEMBL31651397 0.85 NPY2R (0.71) CALCRNPY2RNPY4RNPY5RNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116948034-B Active type heterophagy antibody blocker Block-5S and preparation method thereof 南京珀尔泰生物技术有限公司 2024-06-25 — — CN disclosed
CN-116948034-A Active type heterophagy antibody blocker Block-5S and preparation method thereof 南京珀尔泰生物技术有限公司 2023-10-27 — — CN disclosed
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