SCHEMBL18849853

SCHEMBL18849853

CC1(C)c2cc(NC(=O)[C@@H]3C[C@H](F)CN3)ccc2-c2ccc(-c3ccc4[nH]c([C@@H]5CCCN5)nc4c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 2/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ DHODH Q02127 3/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ ULK1 O75385 1/20 0.33
▸ SCN3A Q9NY46 3/20 0.32
▸ PARP1 P09874 2/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TLR9 Q9NR96 2/20 0.32
▸ TLR8 Q9NR97 2/20 0.32
▸ TLR7 Q9NYK1 2/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ ABL1 P00519 2/20 0.31
▸ BCR P11274 2/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31

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
SCHEMBL18849791 0.93 PSMB8 (0.35) PSMB8SCN10ADHODHIKBKBCHUK
SCHEMBL18849736 0.90 PSMB8 (0.44) PSMB8SCN10ADHODHIKBKBCHUK
SCHEMBL28638185 0.90 PSMB8 (0.44) PSMB8SCN10ADHODHIKBKBCHUK
SCHEMBL18849672 0.85 PSMB8 (0.34) PSMB8SCN10ADHODHIKBKBCHUK
SCHEMBL28663020 0.85 PSMB8 (0.34) PSMB8SCN10ADHODHIKBKBCHUK
SCHEMBL28663018 0.85 PSMB8 (0.34) PSMB8SCN10ADHODHIKBKBCHUK
SCHEMBL18849782 0.85 SCN3A (0.42) PSMB8DHODHIKBKBCHUKSCN3A
SCHEMBL18849641 0.85 SCN3A (0.42) PSMB8DHODHIKBKBCHUKSCN3A
SCHEMBL28638344 0.84 PSMB8 (0.44) PSMB8SCN10ADHODHIKBKBCHUK
SCHEMBL18849682 0.84 PSMB8 (0.44) PSMB8SCN10ADHODHIKBKBCHUK

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
WO-2017076201-A1 HCV INHIBITORS, PREPARATION METHOD AND USE THEREOF 江苏豪森药业集团有限公司 2017-05-11 — — WO disclosed
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