SCHEMBL21075157

SCHEMBL21075157

O=C(c1cc(C2CC2)c(OC2CCCN(Cc3ccc(F)cc3Cl)C2)cc1F)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.56
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PDE2A O00408 1/20 0.39
ADRB2 P07550 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL17061883 0.91 SCN9A (0.58) SCN9ASMN1; SMN2L3MBTL1PDE2A
SCHEMBL17062104 0.91 SCN9A (0.58) SCN9ASMN1; SMN2L3MBTL1PDE2A
SCHEMBL17061886 0.91 SCN9A (0.58) SCN9ASMN1; SMN2L3MBTL1PDE2A
SCHEMBL17069306 0.90 SCN9A (0.57) SCN9ASMN1; SMN2L3MBTL1PDE2A
SCHEMBL17428300 0.88 SCN9A (0.53) SCN9APDE2A
SCHEMBL19064854 0.88 SCN9A (0.53) SCN9APDE2A
SCHEMBL17423088 0.88 SCN9A (0.53) SCN9APDE2A
SCHEMBL21075440 0.87 SCN9A (0.52) SCN9APDE2A
SCHEMBL21825365 0.86 SCN9A (0.56) SCN9AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16771017 0.85 SCN9A (0.74) SCN9A

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