SCHEMBL1857641

SCHEMBL1857641

[O]CC(O)CN1CCCC1OC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
SLC6A1 P30531 2/20 0.30
CYP2D6 P10635 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL1861035 0.77 SMN1; SMN2 (0.37) SMN1; SMN2SLC6A1CYP2D6HTT
SCHEMBL1176224 0.76 ACE (0.40) LMNA
SCHEMBL1856194 0.75 SMN1; SMN2 (0.35) SMN1; SMN2CYP2D6HTT
SCHEMBL1853924 0.74 SMN1; SMN2 (0.39) SMN1; SMN2CYP2D6HTT
SCHEMBL1362068 0.73 LMNA (0.31) MEN1KMT2ALMNA
SCHEMBL1861942 0.72 SMN1; SMN2 (0.36) SMN1; SMN2CYP2D6HTT
SCHEMBL1857654 0.72 DRD2 (0.36) MEN1KMT2ALMNACYP2D6
SCHEMBL3277030 0.71 LTA4H (0.42) MEN1KMT2A
SCHEMBL1858232 0.67 MAPK1 (0.31)
SCHEMBL4016775 0.66 SMN1; SMN2 (0.32) SMN1; SMN2CYP2D6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125797-B1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-15 EP claimed
EP-2217594-B1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-01-08 EP claimed
EP-2252609-B1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-17 EP claimed
EP-2222667-B1 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2013-02-20 EP claimed
EP-2069335-B1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP claimed
EP-2069336-B1 PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP claimed
EP-2262782-B1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-07-04 EP claimed
EP-2262799-B1 PYRIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2012-07-04 EP claimed
EP-1863475-B1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-07 EP claimed
EP-1863787-B1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-05-25 EP claimed
EP-1863474-B1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-12 EP claimed