SCHEMBL6376175

SCHEMBL6376175

N[C@H]1CCN(Cc2cc3ncccc3n2C(=O)O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.35
PRSS1 P07477 3/20 0.33
PLAT P00750 2/20 0.33
PROC P04070 2/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
HRH4 Q9H3N8 1/20 0.31
CYP2D6 P10635 1/20 0.31
GSK3B P49841 1/20 0.31
OPRD1 P41143 1/20 0.31
KCNH2 Q12809 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRNA7 P36544 2/20 0.30

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
SCHEMBL7213695 0.87 NOS2 (0.36) KCNH2L3MBTL1
Hydrochloric Acid SCHEMBL7213692 0.86 NOS2 (0.36) L3MBTL1
Hydrochloric Acid SCHEMBL7213690 0.86 NOS2 (0.36) L3MBTL1
SCHEMBL3812526 0.85 POLB (0.37)
SCHEMBL3812529 0.85 POLB (0.37)
Trifluoroacetic Acid SCHEMBL7215805 0.71 RBP4 (0.41) F10HRH4
SCHEMBL6244785 0.70 CHRNB2 (0.41) F10PRSS1PLATPROCF2
SCHEMBL6248107 0.70 F10 (0.44) F10PRSS1PLATPROCHRH4
SCHEMBL7220151 0.70 CHRNB2 (0.41) F10PRSS1PLATPROCF2
Hydrochloric Acid SCHEMBL7218826 0.70 CHRNB2 (0.40) F10PRSS1PLATPROCF2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1089988-A4 FLUOROPHENYL RESIN COMPOUNDS AVENTIS PHARM PROD INC (US) 2005-01-19 EP disclosed
EP-1089988-A1 FLUOROPHENYL RESIN COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-04-11 EP disclosed
CN-1244798-A Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds RHONE POULENC RORER PHARMA (US) 2000-02-16 CN disclosed
WO-1999067228-A1 FLUOROPHENYL RESIN COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-29 WO disclosed