SCHEMBL6973372

SCHEMBL6973372

CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.63
ACE P12821 12/20 0.62
ACE2 Q9BYF1 5/20 0.62

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
SCHEMBL6979678 1.00 LTA4H (0.63) LTA4HACEACE2
SCHEMBL6979674 1.00 LTA4H (0.63) LTA4HACEACE2
SCHEMBL6975531 0.96 LTA4H (0.64) LTA4HACEACE2
SCHEMBL16656661 0.91 ACE (0.54) LTA4HACEACE2
SCHEMBL6442125 0.88 ACE (0.74) LTA4HACEACE2
SCHEMBL6442128 0.88 ACE (0.74) LTA4HACEACE2
SCHEMBL10023113 0.86 ALDH1A1 (0.63) LTA4HACEACE2
SCHEMBL22457648 0.86 ACE (0.54) LTA4HACEACE2
SCHEMBL6438372 0.86 ACE (0.58) LTA4HACEACE2
SCHEMBL7377783 0.86 ACE (0.64) LTA4HACEACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085269-B All-solid-phase synthesis method of Hoshinoamide A 滁州学院 2024-01-30 CN claimed
CN-114085269-B All-solid-phase synthesis method of Hoshinoamide A 滁州学院 2024-01-30 CN disclosed
CN-114085269-A All-solid-phase synthesis method of Hoshinoamide A 滁州学院 2022-02-25 CN disclosed
EP-0833839-B1 PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS ORTHO PHARMA CORP (US) 2003-01-08 EP disclosed
EP-0772590-B1 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-10-09 EP disclosed
US-5714485-A Piperidine and hexahydropyridazine thrombin inhibitors MERCK & CO., INC. (US) 1998-02-03 US disclosed
US-5510369-A ANTICOAGULANTS MERCK & CO., INC. (US) 1996-04-23 US disclosed