SCHEMBL21075446

SCHEMBL21075446

O=C(c1cc(C2CC2)c(COc2cc(Cl)cc(Cl)c2)s1)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.43
ALDH1A1 P00352 6/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 3/20 0.39
F2 P00734 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
SCN1A P35498 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACLY P53396 1/20 0.35
SPR P35270 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL17423077 0.84 ALDH1A1 (0.42) SCN9AALDH1A1NPSR1SMN1; SMN2L3MBTL1
SCHEMBL17423109 0.84 ALDH1A1 (0.42) SCN9AALDH1A1NPSR1SMN1; SMN2L3MBTL1
SCHEMBL17423116 0.83 SCN9A (0.47) SCN9AMAPTSCN1ASCN5ASCN2A
SCHEMBL17423137 0.82 ALDH1A1 (0.43) SCN9AALDH1A1NPC1SCN1ASCN5A
SCHEMBL17423136 0.82 ALDH1A1 (0.43) SCN9AALDH1A1NPC1SCN1ASCN5A
SCHEMBL17423020 0.81 SCN9A (0.45) SCN9AALDH1A1MAPTSCN1ASCN5A
SCHEMBL19064837 0.80 SCN9A (0.38) SCN9AMAPTSCN1ASCN5ASCN2A
SCHEMBL19064838 0.80 SCN9A (0.38) SCN9AMAPTSCN1ASCN5ASCN2A
SCHEMBL17423100 0.79 SCN9A (0.38) SCN9AMAPTSCN1ASCN5ASCN2A
SCHEMBL19064836 0.77 SCN9A (0.37) SCN9AMAPTSCN1ASCN5ASCN2A

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 2 patents. 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
CN-106715418-A Therapeutic compounds and methods of use thereof 基因泰克公司 2017-05-24 CN disclosed