SCHEMBL4592824

SCHEMBL4592824

O=C(O)c1ncn2cc(C(F)(F)F)c(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.40
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
PLAU P00749 1/20 0.37
DHODH Q02127 3/20 0.36
P2RY14 Q15391 4/20 0.35
PTGER1 P34995 1/20 0.35
OPRD1 P41143 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAPK1 P28482 2/20 0.34
MAP2K4 P45985 2/20 0.34
MAPK6 Q16659 2/20 0.34
MAPKAPK3 Q16644 1/20 0.34
MAPKAPK5 Q8IW41 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL5180971 0.74 KDM4E (0.40) TRPV1DHODHPTGER1
SCHEMBL19437767 0.72 TSPO (0.39) KDM4CDHODHPTGER1
SCHEMBL312869 0.68 KDM4E (0.46) KDM2BKDM4CP2RY14MAPK1
SCHEMBL18365964 0.68 TAS2R14 (0.37) PTGER1
SCHEMBL1348829 0.67 ADORA3 (0.39) KDM2BKDM4CP2RY14
SCHEMBL29893015 0.67 MCHR1 (0.45) TRPV1KDM2BKDM4CPLAUDHODH
SCHEMBL14881703 0.66 KMO (0.53)
SCHEMBL2468818 0.65 PLAU (0.49) TRPV1PLAUDHODHMAPK1MAP2K4
SCHEMBL3692564 0.65 MARS1 (0.39) DHODHP2RY14
SCHEMBL17941413 0.65 CFTR (0.42) PLAUDHODHMAPK1MAP2K4MAPK6

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-1934214-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039439-A1 OXADIAZOLYL PYRAZOLO-PYRIMIDINES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed