SCHEMBL4681706

SCHEMBL4681706

COC(=O)C1CCCN1C[O]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.47
POLB P06746 1/20 0.45
FKBP1A P62942 2/20 0.43
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ADAM17 P78536 1/20 0.41
PEPD P12955 2/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
XPNPEP1 Q9NQW7 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL10370406 0.86 LTA4H (0.51) LTA4HPOLBFKBP1AADRA1DADRA1A
SCHEMBL12677313 0.85 LTA4H (0.47) LTA4HPOLBFKBP1AADRA1DADRA1A
SCHEMBL8977442 0.85 LTA4H (0.47) LTA4HPOLBFKBP1AADRA1DADRA1A
SCHEMBL25728389 0.85 LTA4H (0.47) LTA4HPOLBFKBP1AADRA1DADRA1A
SCHEMBL3315632 0.85 LTA4H (0.47) LTA4HPOLBFKBP1AADRA1DADRA1A
SCHEMBL18735940 0.84 LTA4H (0.46) LTA4HPOLBFKBP1AADRA1DADRA1A
SCHEMBL18482504 0.82 FKBP1A (0.51) LTA4HPOLBFKBP1AADRA1DADRA1A
SCHEMBL16943951 0.82 LTA4H (0.45) LTA4HPOLBFKBP1AADRA1DADRA1A
SCHEMBL10182480 0.82 FKBP1A (0.51) LTA4HPOLBFKBP1AADRA1DADRA1A
SCHEMBL933205 0.82 LTA4H (0.48) LTA4HPOLBFKBP1AADRA1DADRA1A

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 5 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-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed