SCHEMBL7300441

SCHEMBL7300441

CCOC(=O)CCCN1CCn2nc(OC(=O)OCc3ccccc3)cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
GRM3 Q14832 1/20 0.40
MAPT P10636 2/20 0.39
GRM4 Q14833 1/20 0.38
TMEM97 Q5BJF2 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
SLC6A2 P23975 2/20 0.38
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
CHRM1 P11229 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TNF P01375 5/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
SCHEMBL7299651 0.95 GRM5 (0.41) GRM5GRM3TMEM97SIGMAR1SLC6A2
SCHEMBL7314851 0.86 TNF (0.41) MAPTGRM4TNFGAAALDH1A1
SCHEMBL6481898 0.85 PKM (0.48) MAPTTMEM97SIGMAR1SLC6A2HRH2
SCHEMBL6475204 0.80 PKM (0.49) TMEM97SIGMAR1SLC6A2HRH2HRH1
SCHEMBL7304398 0.80 ITGB3 (0.38) TNFPKMPOLBALDH1A1CYP1A2
SCHEMBL6474034 0.78 POLB (0.50) MAPTTNFPKMPOLBALDH1A1
SCHEMBL6480916 0.76 ITGB3 (0.47) SMN1; SMN2
SCHEMBL6474441 0.71 POLB (0.52) PKMPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL6474409 0.71 ITGB3 (0.46) PKMSMN1; SMN2
SCHEMBL2526216 0.68 ALDH1A1 (0.64) PKMPOLBALDH1A1CYP1A2CYP2C9

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-0854140-B1 Vitronectin receptor antagonists, their production and their use SANOFI AVENTIS DEUTSCHLAND (DE) 2013-11-06 EP disclosed
EP-0854140-A2 Vitronectin receptor antagonists, their production and their use HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-22 EP disclosed