SCHEMBL1857962

SCHEMBL1857962

[CH2]N1CCCC1OC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4016775 0.77 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL688697 0.75 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL7261140 0.75 POLB (0.31) SMN1; SMN2
SCHEMBL3905171 0.75 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL688825 0.75 SMN1; SMN2 (0.38) SMN1; SMN2
SCHEMBL1856194 0.75 SMN1; SMN2 (0.35) SMN1; SMN2
SCHEMBL4303583 0.73 CYP2D6 (0.32) SMN1; SMN2
SCHEMBL8516214 0.73 CYP2D6 (0.32) SMN1; SMN2
SCHEMBL14911103 0.72
SCHEMBL6206281 0.72 CHRM2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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