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Sugi Predict / Compounds / SCHEMBL29453363

SCHEMBL29453363

SCHEMBL29453363

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VIPR2 P41587 7/20 0.60
▸ TFPI P10646 1/20 0.59
▸ VIPR1 P32241 5/20 0.58
▸ GLP1R P43220 1/20 0.54
▸ GCGR P47871 1/20 0.54
▸ GIPR P48546 1/20 0.54
▸ BACE1 P56817 2/20 0.53
▸ IL23R Q5VWK5 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
SCHEMBL29453340 0.97 VIPR2 (0.63) VIPR2TFPIVIPR1GLP1RGCGR
SCHEMBL29453342 0.97 VIPR2 (0.63) VIPR2TFPIVIPR1GLP1RGCGR
SCHEMBL29453339 0.95 VIPR2 (0.62) VIPR2TFPIVIPR1BACE1
SCHEMBL29453325 0.93 VIPR2 (0.67) VIPR2TFPIVIPR1GLP1RGCGR
SCHEMBL29453351 0.93 VIPR2 (0.67) VIPR2TFPIVIPR1GLP1RGCGR
SCHEMBL29453322 0.93 VIPR2 (0.67) VIPR2TFPIVIPR1GLP1RGCGR
SCHEMBL29453344 0.93 VIPR2 (0.67) VIPR2TFPIVIPR1GLP1RGCGR
SCHEMBL29453326 0.93 VIPR2 (0.67) VIPR2TFPIVIPR1GLP1RGCGR
SCHEMBL29453347 0.93 VIPR2 (0.67) VIPR2TFPIVIPR1GLP1RGCGR
SCHEMBL29453324 0.92 VIPR2 (0.66) VIPR2TFPIVIPR1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240390450-A1 POLYPEPTIDE, POLYPEPTIDE FRAGMENT, DERIVATIVE THEREOF, AND APPLICATIONS THEREOF CHENGDU HUITAI BIOMEDICINE CO., LTD. (CN) 2024-11-28 — — US disclosed
US-12011475-B2 Polypeptide, polypeptide fragment, derivative thereof, and applications thereof CHENGDU HUITAI BIOMEDICINE CO., LTD. (CN) 2024-06-18 — — US disclosed
US-20220072082-A1 POLYPEPTIDE, POLYPEPTIDE FRAGMENT, DERIVATIVE THEREOF, AND APPLICATIONS THEREOF CHENGDU HUITAI BIOMEDICINE CO., LTD. (CN) 2022-03-10 — — US disclosed
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