SCHEMBL5283300

SCHEMBL5283300

COC(=O)Oc1cnn2c(O)c(-c3ccc(Cl)cc3Cl)c(O)nc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.37
CNR1 P21554 2/20 0.37
DPP4 P27487 3/20 0.36
ALPL P05186 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CNR2 P34972 1/20 0.34
CYP3A4 P08684 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
SHMT2 P34897 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL5291917 0.84 CNR1 (0.37) CRHR1CNR1DPP4ALPLMRGPRX4
SCHEMBL4017079 0.83 CRHR1 (0.35) CRHR1MRGPRX4KDM4E
SCHEMBL3536164 0.83 DPP4 (0.43) CNR1DPP4ALPLMRGPRX4KDM4E
SCHEMBL5775424 0.74 EGLN2 (0.41) MRGPRX4
SCHEMBL5290255 0.72 CRHR1 (0.38) CRHR1CNR1DPP4ALPLSHMT2
SCHEMBL4505734 0.71 EGLN2 (0.40) DPP4MRGPRX4KDM4EMAPTNPC1
SCHEMBL5771739 0.69 EGLN2 (0.37) MRGPRX4
SCHEMBL5768799 0.69 EGLN2 (0.37) MRGPRX4
SCHEMBL3258832 0.69 CRHR1 (0.35) CRHR1MRGPRX4KDM4EMAPTNPC1
SCHEMBL5771022 0.69 MEN1 (0.33) MAPT

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-1853607-A2 PYRAZOLOPYRIMIDINES Bayer CropScience AG (DE) 2007-11-14 EP disclosed
WO-2006087120-A2 PYRAZOLOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2006-08-24 WO disclosed