SCHEMBL7986772

SCHEMBL7986772

N=C(N)c1ccc(CN2CCN(Cc3ccc4ccccc4c3)CC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.57
MC4R P32245 1/20 0.55
MC5R P33032 1/20 0.55
KMT2A Q03164 2/20 0.50
CLPP Q16740 1/20 0.46
PKM P14618 1/20 0.46
APP P05067 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
HDAC1 Q13547 1/20 0.45
PLG P00747 1/20 0.45
PROC P04070 1/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 1/20 0.44
F2 P00734 1/20 0.44
HPN P05981 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
HGFAC Q04756 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44

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
SCHEMBL7999912 0.94 MC4R (0.54) F10MC4RMC5RKMT2APKM
SCHEMBL7999994 0.94 MC4R (0.54) F10MC4RMC5RKMT2APKM
SCHEMBL8003193 0.92 F10 (0.58) F10MC4RMC5RPLGF2
SCHEMBL7996092 0.92 F10 (0.58) F10MC4RMC5RPLGF2
SCHEMBL7999904 0.91 F10 (0.53) F10MC4RMC5RKMT2ACLPP
SCHEMBL8000067 0.89 F10 (0.51) F10MC4RMC5RKMT2ACLPP
SCHEMBL7996131 0.89 F10 (0.51) F10MC4RMC5RKMT2ACLPP
SCHEMBL7999835 0.88 F10 (0.58) F10KMT2AAPPHRH3HDAC1
SCHEMBL7986780 0.88 F10 (0.62) F10KMT2AAPPHRH3MEN1
SCHEMBL7986928 0.87 F10 (0.51) F10PLGPROCF2HPN

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-2000008005-A2 PIPERAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2000-02-17 WO disclosed