SCHEMBL3956347

SCHEMBL3956347

COc1cncc(C(C)=CCC(N)COP(=O)(O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
S1PR1 P21453 2/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR3 Q99500 1/20 0.33
SGPL1 O95470 1/20 0.32

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
SCHEMBL365734 0.79 MKNK2 (0.37) MKNK1MKNK2
SCHEMBL7071083 0.75 MKNK2 (0.35) MKNK1MKNK2
SCHEMBL5406058 0.71 MKNK2 (0.38) MKNK1MKNK2
SCHEMBL1691836 0.68 CHRNB2 (0.41)
SCHEMBL4194125 0.68 ADRB2 (0.38)
SCHEMBL4242135 0.67 CHRNB2 (0.36)
SCHEMBL3957262 0.65 CHRNB2 (0.47) MKNK2
SCHEMBL18246429 0.64 KDM4E (0.57) MKNK1MKNK2
Phosphoric Acid SCHEMBL3956343 0.64 ROCK2 (0.44) MKNK1MKNK2
SCHEMBL3209723 0.63 CYP11B1 (0.58) MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009018367-A2 NOVEL SALT FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-METHOXYPYRIDIN)YL]-4-PENTEN-2-AMINE TARGACEPT, INC. (US) 2009-02-05 WO disclosed