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Sugi Predict / Compounds / SCHEMBL30648450

SCHEMBL30648450

SCHEMBL30648450

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 8/20 0.49
▸ CALCR P30988 8/20 0.49
▸ BACE1 P56817 2/20 0.48
▸ CTSD P07339 1/20 0.48
▸ RAMP1 O60894 1/20 0.46
▸ CALCRL Q16602 1/20 0.46
▸ NPY2R P49146 7/20 0.45
▸ NPY4R P50391 7/20 0.45
▸ NPY5R Q15761 7/20 0.45
▸ NPY1R P25929 5/20 0.45
▸ TFPI P10646 1/20 0.44

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
SCHEMBL30607399 0.85 RAMP3 (0.50) RAMP3CALCRNPY2RNPY4RNPY5R
Human C-Peptide SCHEMBL29353643 0.84 NPY2R (0.50) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL29353374 0.84 CTSD (0.47) RAMP3CALCRBACE1CTSDRAMP1
SCHEMBL29453248 0.84 BACE1 (0.51) BACE1CTSDNPY2RNPY4RNPY5R
SCHEMBL30198245 0.84 BACE1 (0.51) BACE1CTSDNPY2RNPY4RNPY5R
SCHEMBL30608585 0.84 CAPN1 (0.47) BACE1CTSDRAMP1CALCRL
SCHEMBL30608623 0.84 CAPN1 (0.47) BACE1CTSDRAMP1CALCRL
SCHEMBL31410827 0.83 RAMP3 (0.48) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30906475 0.82 RAMP3 (0.53) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30432010 0.82 CAPN1 (0.50) RAMP3CALCRNPY2RNPY4RNPY5R

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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