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SCHEMBL29800212

SCHEMBL29800212

CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ VIPR1 P32241 9/20 0.65
▸ VIPR2 P41587 10/20 0.64
▸ GLP1R P43220 6/20 0.59
▸ CCKBR P32239 1/20 0.59
▸ ECE1 P42892 1/20 0.58
▸ MUS81 Q96NY9 1/20 0.58
▸ NR3C1 P04150 2/20 0.57
▸ GCGR P47871 1/20 0.56
▸ GIPR P48546 1/20 0.56

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
SCHEMBL29387959 0.89 VIPR1 (0.65) VIPR1VIPR2GLP1RCCKBRNR3C1
Vasoactive Intestinal Peptide SCHEMBL30752406 0.89 VIPR1 (0.73) VIPR1VIPR2GLP1RCCKBRECE1
Aviptadil SCHEMBL29357337 0.88 VIPR1 (0.84) VIPR1VIPR2GLP1RCCKBRECE1
SCHEMBL31683306 0.87 GLP1R (0.57) VIPR1VIPR2GLP1RGCGRGIPR
SCHEMBL31182459 0.87 GLP1R (0.56) VIPR1VIPR2GLP1RGCGRGIPR
SCHEMBL29623290 0.87 VIPR2 (0.65) VIPR1VIPR2GLP1RECE1MUS81
SCHEMBL29628067 0.86 VIPR1 (0.65) VIPR1VIPR2NR3C1
SCHEMBL30428639 0.86 BACE1 (0.56) VIPR1VIPR2GLP1RGCGRGIPR
SCHEMBL29373417 0.86 VIPR2 (0.69) VIPR1VIPR2
SCHEMBL30906345 0.86 BACE1 (0.65) VIPR1GLP1RGCGRGIPR

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
US-20240301372-A1 TREATMENT FOR HSV-1 USING A MEGANUCLEASE FRED HUTCHINSON CANCER CENTER (US) 2024-09-12 — — US disclosed
EP-4281184-A1 TREATMENT FOR HSV-1 USING A MEGANUCLEASE Fred Hutchinson Cancer Center (US) 2023-11-29 — — EP disclosed
CN-115747379-A Real-time fluorescent nucleic acid isothermal amplification detection kit for herpes simplex virus types 1 and 2 and special primer and probe thereof 上海仁度生物科技股份有限公司 2023-03-07 — — CN disclosed
WO-2022159905-A1 TREATMENT FOR HSV-1 USING A MEGANUCLEASE FRED HUTCHINSON CANCER CENTER (US) 2022-07-28 — — WO disclosed
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