SCHEMBL22386262

SCHEMBL22386262

CNc1cc(C(=O)N2CCC(COC3=C(Cl)NC(Cl)C=C3)CC2)c(F)cc1OCC=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCN7A Q01118 4/20 0.38
▸ SCN5A Q14524 4/20 0.38
▸ SCN9A Q15858 11/20 0.34
▸ LRRK2 Q5S007 4/20 0.34
▸ MGLL Q99685 1/20 0.32
▸ SLC6A9 P48067 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
SCHEMBL22386184 0.78 SCN7A (0.41) SCN7ASCN5ASCN9ALRRK2MGLL
SCHEMBL19848029 0.76 SCN9A (0.41) SCN7ASCN5ASCN9ALRRK2SLC6A9
SCHEMBL19847947 0.69 SCN9A (0.38) SCN9A
SCHEMBL19847955 0.68 PARP10 (0.34) SCN9A
SCHEMBL19848051 0.67 LRRK2 (0.31) LRRK2
SCHEMBL22386185 0.67 HTR1A (0.40) MGLL
SCHEMBL22386242 0.67 FFAR1 (0.34) SCN9ALRRK2
SCHEMBL22386193 0.65 RBP4 (0.35) SCN7ASCN5ASCN9AMGLL
SCHEMBL19847869 0.65 ACACB (0.34) SCN7ASCN5ASCN9ALRRK2SLC6A9
SCHEMBL19848001 0.65 F10 (0.43) SCN7ASCN5A

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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