SCHEMBL19454417

SCHEMBL19454417

COC(=O)c1cc(C#C[SiH3])cnc1N1CC2(CCOCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 19/20 0.42
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL19454416 0.87 VNN1 (0.33) OPRK1
SCHEMBL17845844 0.86 OPRK1 (0.40) OPRK1ALDH1A1
SCHEMBL19704362 0.85 OPRK1 (0.39) OPRK1ALDH1A1
SCHEMBL17675350 0.81 OPRK1 (0.62) OPRK1
SCHEMBL17856546 0.81 OPRK1 (0.46) OPRK1
SCHEMBL17845839 0.81 OPRK1 (0.48) OPRK1
SCHEMBL17845846 0.79 OPRK1 (0.46) OPRK1
SCHEMBL17675584 0.79 OPRK1 (0.51) OPRK1
SCHEMBL17845845 0.74 VNN1 (0.35) —
SCHEMBL20619501 0.74 NR4A2 (0.41) OPRK1ALDH1A1

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-2017175000-A1 COMPOUNDS PULMOCIDE LIMITED (GB) 2017-10-12 — — WO disclosed
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