Sugi Predict

Sugi Predict / Compounds / SCHEMBL30300729

SCHEMBL30300729

SCHEMBL30300729

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)CC)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)CC

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 11/20 0.63
▸ OPRD1 P41143 1/20 0.58
▸ NPY1R P25929 1/20 0.58
▸ NPY2R P49146 1/20 0.58
▸ NPY4R P50391 1/20 0.58
▸ NPY5R Q15761 1/20 0.58
▸ RAMP3 O60896 5/20 0.57
▸ CALCR P30988 5/20 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
SCHEMBL29776068 0.85 TFPI (0.65) RENNPY1RNPY2RNPY4RNPY5R
SCHEMBL30364495 0.85 TFPI (0.68) RENNPY1RNPY2RNPY4RNPY5R
SCHEMBL30294080 0.84 OPRD1 (0.60) OPRD1NPY1RNPY2RNPY4RNPY5R
SCHEMBL30304242 0.83 OPRD1 (0.60) OPRD1CALCR
SCHEMBL30872190 0.83 CXCR4 (0.64) NPY1RNPY2RNPY4RNPY5RRAMP3
SCHEMBL31418387 0.83 TFPI (0.63) RENNPY1RNPY2RNPY4RNPY5R
Melectin SCHEMBL30448502 0.83 REN (0.62) REN
SCHEMBL29826838 0.82 OPRD1 (0.59) OPRD1CALCR
SCHEMBL29509550 0.82 OPRD1 (0.59) OPRD1CALCR
SCHEMBL15669203 0.82 NPY2R (0.74) NPY1RNPY2RNPY4RNPY5RRAMP3

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-113150074-B Antibacterial peptides GK-19 and FK-20 as well as preparation method and application thereof 西安交通大学医学院第一附属医院 2023-03-21 — — CN claimed
CN-113150074-B Antibacterial peptides GK-19 and FK-20 as well as preparation method and application thereof 西安交通大学医学院第一附属医院 2023-03-21 — — CN disclosed
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