SCHEMBL7315288

SCHEMBL7315288

N=C(N)c1ccc(N2CCN(OC(=O)COc3ccccc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.68
ITGA2B P08514 12/20 0.68
F2 P00734 2/20 0.51
PRSS1 P07477 2/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51
TMPRSS6 Q8IU80 2/20 0.51
ST14 Q9Y5Y6 2/20 0.51
ME2 P23368 1/20 0.49
ME1 P48163 1/20 0.49
ME3 Q16798 1/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.45

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
SCHEMBL7782353 0.81 ITGB3 (1.00) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL8696504 0.81 HRH3 (0.51) ITGB3ITGA2BME2ME1ME3
SCHEMBL7316277 0.78 ITGB3 (0.70) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL2403330 0.71 F2 (1.00) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7318604 0.71 ITGB3 (0.55) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7075132 0.71 TPSAB1 (0.68) F2NPC1RAB9A
SCHEMBL6482397 0.71 MAPT (0.54) MAPK1NPC1RAB9A
SCHEMBL8407796 0.69 ITGB3 (0.45) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL9030446 0.69 MRGPRX1 (0.57) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7274743 0.68 ITGB3 (0.74) ITGB3ITGA2BF2PRSS1

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
US-5843948-A Piperazinophenyl- and piperazinophenyloxycarboxylic acid derivatives, and processes and intermediates for their preparation and pharmaceutical compositions comprising them SOLVAY PHARMACEUTICALS GMBH (DE) 1998-12-01 US disclosed