SCHEMBL5225508

SCHEMBL5225508

CN1CCN(Cc2cnn(-c3ccc(-c4cccn4OC(=O)OC(C)(C)C)cc3)c2-c2ccccc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.36
ACHE P22303 1/20 0.35
SCN9A Q15858 3/20 0.34
SCN5A Q14524 1/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
F10 P00742 4/20 0.34
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
TP53 P04637 3/20 0.33
THRB P10828 2/20 0.33
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK14 Q16539 1/20 0.32
SMO Q99835 1/20 0.32
DYRK1A Q13627 1/20 0.32
F2 P00734 3/20 0.32

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
SCHEMBL5225502 0.88 SSTR5 (0.37) SSTR5ACHESCN9ASCN5ASCN10A
SCHEMBL7256544 0.79 DRD4 (0.44) SSTR5ACHEDRD4DRD3MAPT
SCHEMBL1689504 0.78 SMO (0.45) SSTR5ACHEDRD4DRD3HTT
SCHEMBL5737789 0.77 SMO (0.44) SSTR5DRD4DRD3MAPTLMNA
SCHEMBL5228638 0.76 DRD4 (0.41) SSTR5ACHEDRD4DRD3MAPT
SCHEMBL7262021 0.75 DRD4 (0.47) SSTR5ACHEDRD4DRD3MAPT
SCHEMBL5224217 0.75 SMO (0.44) SSTR5ACHESCN9ADRD4DRD3
SCHEMBL7261049 0.75 CHKA (0.50) SSTR5ACHEDRD4DRD3SMO
SCHEMBL7261173 0.75 SMO (0.47) SSTR5DRD4DRD3MAPTSMO
SCHEMBL5230137 0.74 PTGS2 (0.43) SSTR5DRD4DRD3SMO

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