SCHEMBL4633248

SCHEMBL4633248

N=C(N)C(N)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.54
F2 P00734 3/20 0.54
PLG P00747 3/20 0.54
PLAT P00750 3/20 0.54
KLK8 O60259 2/20 0.54
F10 P00742 2/20 0.54
KLK4 Q9Y5K2 2/20 0.54
CTRB1 P17538 2/20 0.54
KLK1 P06870 1/20 0.51
KLK2 P20151 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
ATM Q13315 1/20 0.50
CTSL P07711 1/20 0.49
CTSK P43235 1/20 0.48
TACR1 P25103 1/20 0.48

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
SCHEMBL16492790 0.80 ATM (0.52) PLAUF2PLGPLATKLK8
SCHEMBL6140023 0.80 ATM (0.61) CTRB1CA12CA1CA2CA9
SCHEMBL11548100 0.80 CTRB1 (0.57) CTRB1CA12CA1CA2CA9
SCHEMBL28969071 0.78 PPARA (0.55) CTSKTACR1
SCHEMBL28969068 0.78 PPARA (0.55) CTSKTACR1
SCHEMBL10953605 0.78 CTRB1 (0.64) PLAUF2PLATCTRB1CA12
SCHEMBL14625712 0.78 CTRB1 (0.64) PLAUF2PLATCTRB1CA12
Hydrochloric Acid SCHEMBL5741994 0.78 ATM (0.59) CTRB1CA12CA1CA2CA9
SCHEMBL1763734 0.78 LMNA (0.57) PLAUCA12CA1CA2CA9
SCHEMBL5771343 0.77 ATM (0.52) PLAUF2PLGPLATKLK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928857-A1 METHOD FOR PREPARING (3-CHLORO-4-FLUOROPHENYL)-(4-FLUORO-4-{[(5METHYL-PYRIMIDIN-2-YLMETHYL)-AMINO]-METHYL}-PIPERIDIN-1-YL)-METHANONE AND NOVEL INTERMEDIATE PYRIMIDINE DERIVATIVES PIERRE FABRE MEDICAMENT (FR) 2008-06-11 EP disclosed
WO-2007039499-A1 METHOD FOR PREPARING (3-CHLORO-4-FLUOROPHENYL)-(4-FLUORO-4-{[(5METHYL-PYRIMIDIN-2-YLMETHYL)-AMINO]-METHYL}-PIPERIDIN-1-YL)-METHANONE AND NOVEL INTERMEDIATE PYRIMIDINE DERIVATIVES PIERRE FABRE MEDICAMENT (FR) 2007-04-12 WO disclosed