SCHEMBL30648441

SCHEMBL30648441

CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.56
▸ F2 P00734 4/20 0.55
▸ CXCL8 P10145 6/20 0.54
▸ CRHR1 P34998 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ NMBR P28336 1/20 0.51
▸ GRPR P30550 1/20 0.51
▸ NMUR2 Q9GZQ4 1/20 0.50
▸ HCRTR1 O43613 1/20 0.49
▸ HCRTR2 O43614 1/20 0.49

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
SCHEMBL31672213 0.87 CALCR (0.70) CALCRF2CRHR1CRHR2
SCHEMBL29706318 0.87 CALCR (0.54) CALCRF2CXCL8CRHR1CRHR2
SCHEMBL30547344 0.87 EPHA2 (0.55) CALCRF2NMUR2
SCHEMBL31119149 0.87 F2 (0.52) CALCRF2CXCL8NMUR2
SCHEMBL30437384 0.85 APLNR (0.60) CALCRCRHR1CRHR2
SCHEMBL30431687 0.84 F2 (0.64) CALCRF2CXCL8CRHR1CRHR2
SCHEMBL30208250 0.84 EPHA2 (0.56) F2NMUR2
SCHEMBL31583875 0.84 NMUR2 (0.54) F2NMUR2
SCHEMBL30495679 0.83 CALCR (0.55) CALCRF2CRHR1CRHR2NMBR
SCHEMBL29802631 0.83 SLC6A2 (0.60) —

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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