SCHEMBL5228124

SCHEMBL5228124

CN1CCN(Cc2cnn(-c3ccc(-c4ccc(F)cc4)cc3)c2-c2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.43
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 3/20 0.41
MAPT P10636 2/20 0.41
MELK Q14680 1/20 0.40
MAPK14 Q16539 7/20 0.40
MAPK13 O15264 6/20 0.40
MAPK12 P53778 6/20 0.40
MAPK11 Q15759 6/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
FLT3 P36888 1/20 0.39
TNIK Q9UKE5 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5226795 0.87 SMO (0.42) SMODRD2DRD4DRD3MAPT
SCHEMBL5225922 0.87 L3MBTL1 (0.53) SMOMAPTLMNAL3MBTL1
SCHEMBL5228638 0.85 DRD4 (0.41) SMODRD2DRD4DRD3MAPT
SCHEMBL5227160 0.84 SMO (0.41) SMODRD2DRD4DRD3MAPT
SCHEMBL5228219 0.83 SMO (0.47) SMODRD2DRD4DRD3MAPT
SCHEMBL5737789 0.83 SMO (0.44) SMODRD2DRD4DRD3MAPT
SCHEMBL1997979 0.82 SMO (0.60) SMODRD2DRD4DRD3MAPT
SCHEMBL5230174 0.82 DRD4 (0.46) SMODRD2DRD4DRD3MAPT
SCHEMBL2761009 0.81 SMO (0.43) SMODRD2DRD4DRD3MAPT
SCHEMBL5226797 0.81 SMO (0.61) SMOMAPTMAPK14LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611122-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MERCK PATENT GMBH (DE) 2007-06-13 EP disclosed