SCHEMBL21075160

SCHEMBL21075160

CC[C@H]1C[C@@H](Oc2cc(Cl)cc(OC(F)(F)F)c2)CCN1Cc1cc(F)c(C(=O)N2CCCC2)cc1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 7/20 0.47
▸ ADRB2 P07550 5/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ SCN7A Q01118 2/20 0.35
▸ SCN5A Q14524 2/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PLA2G1B P04054 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33

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
SCHEMBL19084006 0.89 SCN9A (0.44) SCN9ASCN7ASCN5AEPHX2
SCHEMBL19084009 0.89 SCN9A (0.44) SCN9ASCN7ASCN5AEPHX2
SCHEMBL21075343 0.88 SCN9A (0.52) SCN9AADRB2KMT2AMEN1SCN7A
SCHEMBL19083806 0.86 SCN9A (0.42) SCN9ASCN7ASCN5A
SCHEMBL23159346 0.85 SCN9A (0.62) SCN9ASCN7ASCN5A
SCHEMBL23159322 0.82 SCN9A (0.57) SCN9ASCN7ASCN5A
SCHEMBL21075477 0.80 SCN9A (0.69) SCN9ASCN7ASCN5AEPHX2
SCHEMBL16771206 0.77 SCN9A (0.53) SCN9AADRB2SCN7ASCN5AEPHX2
SCHEMBL21075216 0.77 SCN9A (0.51) SCN9AADRB2KMT2AMEN1SCN7A
Hydrochloric Acid SCHEMBL17061970 0.77 SCN9A (0.52) SCN9AADRB2SCN7ASCN5AEPHX2

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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