SCHEMBL21043702

SCHEMBL21043702

COC(=O)[C@@H]1C(C)[C@H](O)CN1C(=O)c1cc(C2CC2)c(OCC2(F)CCN(C(C)c3cc(Cl)cc(Cl)c3)CC2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 17/20 0.49
▸ SCN7A Q01118 4/20 0.49
▸ SCN5A Q14524 4/20 0.49
▸ SCN2B O60939 1/20 0.49
▸ SCN1A P35498 1/20 0.49
▸ SCN4A P35499 1/20 0.49
▸ SCN1B Q07699 1/20 0.49
▸ SCN2A Q99250 1/20 0.49
▸ SCN8A Q9UQD0 1/20 0.49

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
SCHEMBL21043701 1.00 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL17428775 1.00 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL21043688 0.93 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL19064784 0.93 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL21043687 0.93 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL17428451 0.93 SCN9A (0.48) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL20680109 0.93 SCN9A (0.48) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL19084062 0.90 SCN9A (0.51) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL19075799 0.88 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2BSCN1A
SCHEMBL19064786 0.88 SCN9A (0.49) SCN9ASCN7ASCN5ASCN2BSCN1A

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-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 — — EP disclosed
Send feedback