SCHEMBL7999904

SCHEMBL7999904

N=C(N)c1ccc2ccc(CN3CCN(Cc4ccccc4)C(=O)C3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.53
PLAU P00749 2/20 0.48
KMT2A Q03164 1/20 0.48
MC4R P32245 1/20 0.47
MC5R P33032 1/20 0.47
APP P05067 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
NPC1 O15118 1/20 0.46
HPN P05981 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
ST14 Q9Y5Y6 2/20 0.45
F2 P00734 3/20 0.45
CLPP Q16740 1/20 0.45
HGFAC Q04756 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PLG P00747 1/20 0.44
PROC P04070 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
SCHEMBL8000067 0.95 F10 (0.51) F10PLAUKMT2AMC4RMC5R
SCHEMBL7996131 0.95 F10 (0.51) F10PLAUKMT2AMC4RMC5R
SCHEMBL7999994 0.95 MC4R (0.54) F10PLAUKMT2AMC4RMC5R
SCHEMBL7999912 0.95 MC4R (0.54) F10PLAUKMT2AMC4RMC5R
SCHEMBL8003193 0.95 F10 (0.58) F10PLAUMC4RMC5RHPN
SCHEMBL7996092 0.95 F10 (0.58) F10PLAUMC4RMC5RHPN
SCHEMBL7986928 0.94 F10 (0.51) F10PLAUHPNPRSS1PRSS2
SCHEMBL7999748 0.94 F10 (0.51) F10PLAUHPNPRSS1PRSS2
SCHEMBL7986772 0.91 F10 (0.57) F10KMT2AMC4RMC5RAPP
SCHEMBL7999835 0.89 F10 (0.58) F10KMT2AAPPHRH3HPN

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