SCHEMBL4681664

SCHEMBL4681664

CCCCOC(=O)C1CCCN1C(=O)CCCO

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.46
ACE P12821 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5497998 0.93 FKBP1A (0.49) FKBP1AACEACE2L3MBTL1
SCHEMBL5497995 0.93 FKBP1A (0.49) FKBP1AACEACE2L3MBTL1
SCHEMBL6883743 0.93 FKBP1A (0.49) FKBP1AACEACE2L3MBTL1
SCHEMBL4684970 0.91 SPHK1 (0.45) FKBP1AACEACE2
SCHEMBL16119953 0.91 SPHK1 (0.45) FKBP1AACEACE2
SCHEMBL4681662 0.90 FKBP1A (0.46) FKBP1AACEACE2L3MBTL1
SCHEMBL16116973 0.88 SPHK1 (0.48) FKBP1AACEACE2L3MBTL1
SCHEMBL16116984 0.88 SPHK1 (0.48) FKBP1AACEACE2L3MBTL1
SCHEMBL10015341 0.86 SPHK1 (0.49) FKBP1A
SCHEMBL6883802 0.86 FKBP1A (0.47) FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0514667-B1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 1995-08-09 EP disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed