SCHEMBL6922422

SCHEMBL6922422

O=c1c2ccc(I)cc2nc2n1CC1CC21

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
BCHE P06276 1/20 0.35
PRNP P04156 1/20 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
SCHEMBL6920592 0.76 CYP3A4 (0.38) ACHEBCHE
SCHEMBL12040481 0.71 ACHE (0.44) ACHEBCHE
SCHEMBL21090792 0.64 CTSD (0.50)
SCHEMBL12177192 0.63 PARG (0.41)
SCHEMBL21089924 0.62 KDM4E (0.61)
SCHEMBL12177224 0.58 L3MBTL1 (0.48)
SCHEMBL11869512 0.56 ADRA1D (0.36)
SCHEMBL8860231 0.54 PARP1 (0.39)
SCHEMBL8860237 0.54 PARP1 (0.39)
SCHEMBL24463595 0.53 PDE10A (0.41)

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
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO disclosed