SCHEMBL4697182

SCHEMBL4697182

Brc1ccc(CN2CCC(c3ccccc3)C2)cc1.FC(F)(F)c1ccccc1-c1ccc(CN2CCC(c3ccccc3)C2)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.78
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
SLC18A3 Q16572 4/20 0.45
SIGMAR1 Q99720 1/20 0.43
SCD5 Q86SK9 1/20 0.42
S1PR1 P21453 1/20 0.42

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
SCHEMBL4475524 0.94 CNR2 (0.87) CNR2MEN1KMT2ABCHEACHE
SCHEMBL4691061 0.94 CNR2 (0.90) CNR2MEN1KMT2ABCHEACHE
SCHEMBL4476935 0.88 CNR2 (1.00) CNR2MEN1KMT2ASCD5S1PR1
SCHEMBL4476807 0.83 MEN1 (0.63) CNR2MEN1KMT2ABCHEACHE
SCHEMBL4465139 0.79 CNR2 (1.00) CNR2
SCHEMBL4465145 0.79 CNR2 (1.00) CNR2
SCHEMBL4468766 0.78 CNR2 (0.59) CNR2S1PR1
SCHEMBL20148958 0.78 ACHE (0.60) MEN1KMT2ABCHEACHEBACE1
SCHEMBL4471675 0.78 CNR2 (0.67) CNR2MEN1KMT2ABCHEACHE
SCHEMBL13708759 0.78 CNR2 (0.70) CNR2MEN1KMT2ASLC18A3SIGMAR1

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-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed