SCHEMBL7996092

SCHEMBL7996092

N=C(N)c1ccc(CN2CCN(Cc3ccc4ccc(C(=N)N)cc4c3)C(=O)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.58
MC4R P32245 1/20 0.44
MC5R P33032 1/20 0.44
PLAU P00749 2/20 0.43
ITGB3 P05106 5/20 0.43
ITGA2B P08514 5/20 0.43
PLG P00747 1/20 0.43
F2 P00734 4/20 0.42
PRSS1 P07477 2/20 0.41
HPN P05981 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
HGFAC Q04756 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40

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
SCHEMBL8003193 1.00 F10 (0.58) F10MC4RMC5RPLAUITGB3
SCHEMBL7999904 0.95 F10 (0.53) F10MC4RMC5RPLAUITGB3
SCHEMBL7999994 0.93 MC4R (0.54) F10MC4RMC5RPLAUPLG
SCHEMBL7999912 0.93 MC4R (0.54) F10MC4RMC5RPLAUPLG
SCHEMBL7986928 0.92 F10 (0.51) F10PLAUPLGF2PRSS1
SCHEMBL7999748 0.92 F10 (0.51) F10PLAUPLGF2PRSS1
SCHEMBL7986772 0.92 F10 (0.57) F10MC4RMC5RITGB3ITGA2B
SCHEMBL8000067 0.92 F10 (0.51) F10MC4RMC5RPLAUF2
SCHEMBL7996131 0.92 F10 (0.51) F10MC4RMC5RPLAUF2
SCHEMBL7986780 0.89 F10 (0.62) F10ITGB3ITGA2BF2PRSS1

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