SCHEMBL30504295

SCHEMBL30504295

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 3/20 0.52
▸ BACE1 P56817 1/20 0.51
▸ CRHR1 P34998 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ PTH1R Q03431 2/20 0.51
▸ F2 P00734 4/20 0.50
▸ GLP1R P43220 4/20 0.50
▸ KISS1R Q969F8 2/20 0.49
▸ KEAP1 Q14145 1/20 0.48

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
SCHEMBL29880253 0.92 CALCR (0.59) CALCRCRHR1CRHR2PTH1RF2
SCHEMBL31243560 0.89 CALCR (0.59) CALCRCRHR1CRHR2PTH1RF2
SCHEMBL30176478 0.87 PTH1R (0.62) CALCRCRHR1CRHR2PTH1RGLP1R
SCHEMBL31441459 0.86 KEAP1 (0.65) GLP1RKEAP1
SCHEMBL30262085 0.85 CALCR (0.59) CALCRBACE1CRHR1CRHR2PTH1R
SCHEMBL30176464 0.85 PTH1R (0.61) CALCRCRHR1CRHR2PTH1RF2
SCHEMBL30501956 0.85 OPRM1 (0.59) BACE1GLP1RKISS1R
SCHEMBL29994110 0.84 CALCR (0.58) CALCRCRHR1CRHR2PTH1RGLP1R
SCHEMBL30262038 0.84 F2 (0.62) CALCRCRHR1CRHR2PTH1RF2
SCHEMBL30956314 0.83 CALCR (0.50) CALCRCRHR1CRHR2F2GLP1R

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-113845572-B Polypeptide for promoting pig organism to generate broad-spectrum acquired immune response and application thereof 中国农业科学院兰州兽医研究所 2023-11-21 — — CN disclosed
CN-113845568-B Polypeptide for promoting pig organism to generate broad-spectrum acquired immune response and application thereof 中国农业科学院兰州兽医研究所 2023-08-18 — — CN disclosed
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