SCHEMBL19454416

SCHEMBL19454416

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 17/20 0.33
▸ KMO O15229 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ BTD P43251 2/20 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
SCHEMBL19454417 0.87 OPRK1 (0.42) OPRK1
SCHEMBL17845845 0.84 VNN1 (0.35) VNN1BTD
SCHEMBL17674350 0.80 OGA (0.38) VNN1OPRK1
SCHEMBL17675419 0.77 OPRK1 (0.36) OPRK1
SCHEMBL17845850 0.77 VNN1 (0.40) VNN1OPRK1BTD
SCHEMBL17845844 0.73 OPRK1 (0.40) VNN1OPRK1
SCHEMBL19704362 0.72 OPRK1 (0.39) OPRK1
SCHEMBL20598365 0.72 KMT2A (0.51) VNN1
SCHEMBL20599108 0.72 GAK (0.42) POLB
SCHEMBL20618190 0.70 ABCC1 (0.37) VNN1OPRK1

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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