Sugi Predict

Sugi Predict / Compounds / SCHEMBL29694510

SCHEMBL29694510

SCHEMBL29694510

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

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VIPR2 P41587 10/20 0.61
▸ VIPR1 P32241 9/20 0.59
▸ TFPI P10646 1/20 0.56
▸ BACE1 P56817 1/20 0.53
▸ PTH1R Q03431 1/20 0.52

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
SCHEMBL29694509 0.97 VIPR2 (0.66) VIPR2VIPR1TFPI
SCHEMBL29694508 0.95 VIPR2 (0.66) VIPR2VIPR1TFPI
SCHEMBL30176424 0.94 VIPR1 (0.63) VIPR2VIPR1TFPIPTH1R
SCHEMBL31307250 0.92 VIPR2 (0.57) VIPR2VIPR1BACE1
SCHEMBL29461568 0.92 VIPR2 (0.65) VIPR2VIPR1TFPI
SCHEMBL29453342 0.91 VIPR2 (0.63) VIPR2VIPR1TFPIBACE1
SCHEMBL29453340 0.91 VIPR2 (0.63) VIPR2VIPR1TFPIBACE1
SCHEMBL29453363 0.89 VIPR2 (0.60) VIPR2VIPR1TFPIBACE1
SCHEMBL29453332 0.89 VIPR2 (0.62) VIPR2VIPR1TFPIBACE1
SCHEMBL29487597 0.88 VIPR2 (0.63) VIPR2VIPR1TFPIBACE1PTH1R

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-112745382-B Bioactive peptide with amino acid structure LTVINQTQKENLR, and preparation method and application thereof 浙江辉肽生命健康科技有限公司 2022-05-31 — — CN claimed
CN-112745382-B Bioactive peptide with amino acid structure LTVINQTQKENLR, and preparation method and application thereof 浙江辉肽生命健康科技有限公司 2022-05-31 — — CN disclosed
Send feedback