SCHEMBL2572138

SCHEMBL2572138

CC1CN(C)CCc2ccc(NC(=O)OC3(NC(=O)c4ccc(Cl)s4)CCOC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.38
ALK Q9UM73 3/20 0.38
DRD2 P14416 5/20 0.37
DRD3 P35462 5/20 0.37
HTR1A P08908 3/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
F10 P00742 8/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
WDR91 A4D1P6 1/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 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
SCHEMBL2570115 0.93 F10 (0.35) F10KMT2ALMNAMAPK1WDR91
SCHEMBL3378505 0.92 F10 (0.35) F10KMT2ALMNAMAPK1WDR91
SCHEMBL2567240 0.92 F10 (0.35) F10KMT2ALMNAMAPK1WDR91
SCHEMBL2568491 0.89 WDR91 (0.40) F10KMT2ALMNAMAPK1WDR91
SCHEMBL2566809 0.88 F10 (0.35) DRD2F10KMT2ALMNAMAPK1
SCHEMBL2568594 0.88 F10 (0.35) DRD2F10KMT2ALMNAMAPK1
SCHEMBL2571399 0.87 F10 (0.35) DRD2F10KMT2ALMNAMAPK1
SCHEMBL3779555 0.86 MET (0.40) METALKDRD2DRD3HTR1A
SCHEMBL3774661 0.86 MET (0.40) METALKDRD2DRD3HTR1A
SCHEMBL3773496 0.86 MET (0.40) METALKDRD2DRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP claimed
EP-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed