SCHEMBL21075232

SCHEMBL21075232

O=C(c1cc(C2CC2)c(OCC2CCN(C(c3ccccc3)c3cc(Cl)cc(Cl)c3)CC2)cc1F)N1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN7A Q01118 6/20 0.63
▸ SCN5A Q14524 5/20 0.63
▸ SCN9A Q15858 16/20 0.56
▸ SCN2B O60939 1/20 0.56
▸ SCN1A P35498 1/20 0.56
▸ SCN4A P35499 1/20 0.56
▸ SCN1B Q07699 1/20 0.56
▸ SCN2A Q99250 1/20 0.56
▸ SCN8A Q9UQD0 1/20 0.56

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
SCHEMBL21075659 0.92 SCN7A (0.61) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL16759323 0.91 SCN7A (0.68) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL21075218 0.89 SCN7A (0.63) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL17428299 0.88 SCN7A (0.59) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL16758825 0.88 SCN7A (0.69) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL21075255 0.87 SCN9A (0.72) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL21075197 0.87 SCN9A (0.72) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL19075821 0.87 SCN7A (0.61) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL21075752 0.86 SCN9A (0.60) SCN7ASCN5ASCN9ASCN2BSCN1A
SCHEMBL21075697 0.86 SCN9A (0.60) SCN7ASCN5ASCN9ASCN2BSCN1A

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
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