SCHEMBL22386193

SCHEMBL22386193

CN/C(C)=C\C(NC)c1cc(Cl)ccc1OCC1CN(C(=O)c2cc(NC)c(OCC=O)cc2F)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 2/20 0.35
▸ SCN9A Q15858 6/20 0.34
▸ MGLL Q99685 1/20 0.32
▸ SCN7A Q01118 2/20 0.32
▸ SCN5A Q14524 2/20 0.32
▸ KMT2A Q03164 1/20 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
SCHEMBL19847877 0.79 MGLL (0.43) RBP4MGLL
SCHEMBL19847972 0.78 RBP4 (0.34) RBP4SCN9ASCN7ASCN5AKMT2A
SCHEMBL22386184 0.75 SCN7A (0.41) SCN9AMGLLSCN7ASCN5A
SCHEMBL22386229 0.74 RBP4 (0.33) RBP4SCN9ASCN7ASCN5A
SCHEMBL19847869 0.73 ACACB (0.34) RBP4SCN9ASCN7ASCN5A
SCHEMBL19847947 0.72 SCN9A (0.38) SCN9A
SCHEMBL19847955 0.71 PARP10 (0.34) SCN9A
SCHEMBL22386242 0.70 FFAR1 (0.34) SCN9A
SCHEMBL22386185 0.69 HTR1A (0.40) MGLLKMT2A
SCHEMBL19848051 0.68 LRRK2 (0.31) —

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-3279191-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 — — EP disclosed
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