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Sugi Predict / Compounds / SCHEMBL6442033

SCHEMBL6442033

SCHEMBL6442033

CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 13/20 0.54
▸ CTSD P07339 3/20 0.49
▸ BACE2 Q9Y5Z0 2/20 0.47
▸ VIPR2 P41587 1/20 0.46
▸ CALCR P30988 1/20 0.45

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
SCHEMBL15761356 0.91 BACE1 (0.53) BACE1CTSDBACE2
SCHEMBL31174214 0.88 ENPEP (0.47) BACE1CTSDBACE2
SCHEMBL30432769 0.87 BACE1 (0.61) BACE1VIPR2CALCR
SCHEMBL30631961 0.87 GLP1R (0.54) CALCR
SCHEMBL30433100 0.85 BACE1 (0.49) BACE1CTSDCALCR
SCHEMBL30805694 0.84 BACE1 (0.47) BACE1CTSDBACE2
SCHEMBL29374208 0.84 BACE1 (0.47) BACE1CTSDBACE2
SCHEMBL31182934 0.84 RXFP1 (0.58) VIPR2
SCHEMBL26629909 0.83 BACE1 (0.46) BACE1CTSDBACE2
SCHEMBL30262162 0.83 BACE1 (0.48) BACE1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050181066-A1 Novel use of guanylate cyclase activators for the treatment of respiratory insufficiency ALTANA PHARMA AG (DE) 2005-08-18 — — US claimed
EP-1501605-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA Pharma AG (DE) 2005-02-02 — — EP claimed
WO-2003090870-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA PHARMA AG (DE) 2003-11-06 — — WO claimed
US-20050181066-A1 Novel use of guanylate cyclase activators for the treatment of respiratory insufficiency ALTANA PHARMA AG (DE) 2005-08-18 — — US disclosed
EP-1501605-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA Pharma AG (DE) 2005-02-02 — — EP disclosed
WO-2003090870-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA PHARMA AG (DE) 2003-11-06 — — WO disclosed
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