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Sugi Predict / Compounds / SCHEMBL30648478

SCHEMBL30648478

SCHEMBL30648478

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 3/20 0.57
▸ GCGR P47871 1/20 0.57
▸ GIPR P48546 1/20 0.57
▸ IL23R Q5VWK5 1/20 0.53
▸ BACE1 P56817 3/20 0.53
▸ VIPR1 P32241 3/20 0.53
▸ BACE2 Q9Y5Z0 2/20 0.52
▸ VIPR2 P41587 5/20 0.52
▸ TFPI P10646 1/20 0.51
▸ KISS1R Q969F8 3/20 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
SCHEMBL31683306 0.95 GLP1R (0.57) GLP1RGCGRGIPRIL23RBACE1
SCHEMBL30428639 0.93 BACE1 (0.56) GLP1RGCGRGIPRIL23RBACE1
SCHEMBL31688330 0.93 KISS1R (0.53) GLP1RGCGRGIPRIL23RBACE1
SCHEMBL31182625 0.91 BACE1 (0.57) GLP1RGCGRGIPRBACE1VIPR1
SCHEMBL30974297 0.89 TFPI (0.62) GLP1RGCGRGIPRVIPR1VIPR2
SCHEMBL31182459 0.89 GLP1R (0.56) GLP1RGCGRGIPRBACE1VIPR1
SCHEMBL31688316 0.88 GLP1R (0.56) GLP1RGCGRGIPRBACE1VIPR1
SCHEMBL30906345 0.88 BACE1 (0.65) GLP1RGCGRGIPRBACE1VIPR1
SCHEMBL38664549 0.88 GLP1R (0.52) GLP1RGCGRGIPRIL23RBACE1
SCHEMBL30880889 0.88 BACE1 (0.54) GLP1RGCGRGIPRBACE1VIPR1

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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