SCHEMBL3663351

SCHEMBL3663351

Cc1c(C2CCCNCC2)c(C(N)=O)c(C2CCCNCC2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.41
MAOA P21397 1/20 0.37
HTR2C P28335 8/20 0.36
HTR2A P28223 3/20 0.36
KCNH2 Q12809 2/20 0.36
IKBKB O14920 2/20 0.36
CHUK O15111 2/20 0.36
CSF1R P07333 1/20 0.36
BTK Q06187 1/20 0.36
PLAT P00750 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
ADRB2 P07550 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
SCHEMBL3662882 0.72 PARP1 (0.40) PARP1
SCHEMBL5808501 0.69 HTR2C (0.44) PARP1HTR2CIKBKBCHUKPLAT
SCHEMBL30554038 0.69 PARP1 (0.56) PARP1HTR2CKCNH2IKBKBCHUK
SCHEMBL21714170 0.69 LIMK1 (0.51) PARP1HTR2CHTR2AKCNH2IKBKB
SCHEMBL17042189 0.68 MEN1 (0.39)
SCHEMBL29372456 0.68 MEN1 (0.39)
SCHEMBL3809365 0.66 PARP1 (0.51) PARP1HTR2CIKBKBCHUK
SCHEMBL28325510 0.66 PARP1 (0.57) PARP1IKBKBCHUK
SCHEMBL4077380 0.65 HTR2C (0.51) PARP1HTR2CHTR2AKCNH2TLR9
Acetamide SCHEMBL27654523 0.65 HTR2C (0.58) PARP1HTR2CIKBKBCHUK

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-2257297-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR Mimetica Pty Limited (AU) 2010-12-08 EP disclosed
WO-2009105824-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2009-09-03 WO disclosed