SCHEMBL19313015

SCHEMBL19313015

CCCN(CC)C(O)CN

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 2/20 0.37
▸ CYP2D6 P10635 1/20 0.32
▸ KCNE1 P15382 1/20 0.32
▸ KCNA5 P22460 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
SCHEMBL3723514 0.85 — —
SCHEMBL27855544 0.80 FDPS (0.39) FDPSCYP2D6KCNE1KCNA5
SCHEMBL1285192 0.77 — —
SCHEMBL3650252 0.76 HTT (0.35) —
SCHEMBL8834121 0.73 FDPS (0.33) FDPSCYP2D6KCNE1KCNA5
SCHEMBL20225634 0.73 FDPS (0.33) FDPSCYP2D6KCNE1KCNA5
SCHEMBL3698990 0.69 — —
SCHEMBL975264 0.69 FDPS (0.42) FDPSKCNA5
SCHEMBL15133972 0.68 FDPS (0.38) FDPSCYP2D6KCNE1KCNA5
SCHEMBL7775089 0.68 FDPS (0.38) FDPSCYP2D6KCNE1KCNA5

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
EP-2300013-B1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2017-09-06 — — EP disclosed
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