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Sugi Predict / Compounds / SCHEMBL29707440

SCHEMBL29707440

SCHEMBL29707440

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

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ VIPR1 P32241 7/20 0.64
▸ GLP1R P43220 6/20 0.62
▸ GCGR P47871 1/20 0.62
▸ GIPR P48546 1/20 0.62
▸ VIPR2 P41587 8/20 0.61
▸ CCKBR P32239 1/20 0.57
▸ BACE1 P56817 1/20 0.57
▸ ECE1 P42892 1/20 0.57
▸ MUS81 Q96NY9 1/20 0.57

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
SCHEMBL29707397 0.95 VIPR1 (0.61) VIPR1GLP1RGCGRGIPRVIPR2
SCHEMBL30628808 0.93 VIPR1 (0.60) VIPR1GLP1RGCGRGIPRVIPR2
SCHEMBL29949449 0.93 VIPR1 (0.65) VIPR1GLP1RGCGRGIPRVIPR2
SCHEMBL30495755 0.92 VIPR1 (0.65) VIPR1GLP1RGCGRGIPRVIPR2
SCHEMBL30437423 0.92 VIPR1 (0.61) VIPR1GLP1RGCGRGIPRVIPR2
SCHEMBL30480570 0.92 VIPR1 (0.66) VIPR1GLP1RGCGRGIPRVIPR2
SCHEMBL31211669 0.91 VIPR2 (0.62) VIPR1VIPR2
SCHEMBL30432173 0.91 VIPR1 (0.69) VIPR1GLP1RGCGRGIPRVIPR2
SCHEMBL31182595 0.90 GLP1R (0.68) VIPR1GLP1RGCGRGIPRVIPR2
SCHEMBL29403715 0.90 VIPR1 (0.72) VIPR1GLP1RGCGRGIPRVIPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116964074-A Peptides that modulate VEGF IDP研发制药有限公司 2023-10-27 — — CN claimed
EP-4023295-A1 VEGF-REGULATING PEPTIDES IDP Discovery Pharma, S.L. (ES) 2022-07-06 — — EP claimed
CN-116964074-A Peptides that modulate VEGF IDP研发制药有限公司 2023-10-27 — — CN disclosed
EP-4023295-A1 VEGF-REGULATING PEPTIDES IDP Discovery Pharma, S.L. (ES) 2022-07-06 — — EP disclosed
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