Sugi Predict

Sugi Predict / Compounds / SCHEMBL29854527

SCHEMBL29854527

SCHEMBL29854527

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

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ VIPR1 P32241 4/20 0.65
▸ VIPR2 P41587 6/20 0.62
▸ GLP1R P43220 2/20 0.62
▸ CCKBR P32239 1/20 0.62
▸ TFPI P10646 1/20 0.62
▸ GCGR P47871 1/20 0.60
▸ GIPR P48546 1/20 0.60
▸ KISS1R Q969F8 2/20 0.58
▸ RXFP1 Q9HBX9 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
SCHEMBL29496440 0.97 VIPR1 (0.71) VIPR1VIPR2GLP1RCCKBRTFPI
SCHEMBL30038758 0.93 VIPR1 (0.63) VIPR1VIPR2GLP1RCCKBRTFPI
SCHEMBL197505 0.93 GLP1R (0.71) VIPR1VIPR2GLP1RCCKBRTFPI
SCHEMBL30504369 0.93 GLP1R (0.71) VIPR1VIPR2GLP1RCCKBRTFPI
SCHEMBL34139 0.93 GLP1R (0.71) VIPR1VIPR2GLP1RCCKBRTFPI
SCHEMBL30480570 0.92 VIPR1 (0.66) VIPR1VIPR2GLP1RCCKBRTFPI
Acetic Acid SCHEMBL29473498 0.92 GLP1R (0.71) VIPR1VIPR2GLP1RCCKBRTFPI
SCHEMBL29416557 0.91 TFPI (0.68) VIPR1VIPR2GLP1RCCKBRTFPI
SCHEMBL27043239 0.91 TFPI (0.68) VIPR1VIPR2GLP1RCCKBRTFPI
SCHEMBL32681425 0.91 VIPR1 (0.71) VIPR1VIPR2GLP1RTFPIKISS1R

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-117357647-A Use of vasoactive intestinal peptide receptor agonists in the preparation of medicaments for improving the metabolism of sugar or lipids 北京大学 2024-01-09 — — CN claimed
CN-117357647-A Use of vasoactive intestinal peptide receptor agonists in the preparation of medicaments for improving the metabolism of sugar or lipids 北京大学 2024-01-09 — — CN disclosed
US-20230293681-A1 Antagonism of the VIP Signaling Pathway EMORY UNIVERSITY 2023-09-21 — — US disclosed
US-11464855-B2 Antagonism of the VIP signaling pathway EMORY UNIVERSITY (US) 2022-10-11 — — US disclosed
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