SCHEMBL4650434

SCHEMBL4650434

O=CC(c1ccccc1)N1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CC1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.56
KDM4E B2RXH2 2/20 0.38
ATM Q13315 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TACR1 P25103 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
S1PR1 P21453 1/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
TACR2 P21452 1/20 0.34

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
SCHEMBL4650485 0.87 CNR2 (0.52) CNR2KDM4EATMALDH1A1TACR1
SCHEMBL4650403 0.87 CNR2 (0.52) CNR2KDM4EATMALDH1A1TACR1
SCHEMBL4489036 0.85 CNR2 (0.64) CNR2KDM4EATMALDH1A1TACR1
SCHEMBL4651291 0.80 CNR2 (0.56) CNR2TACR1MEN1KMT2AS1PR1
SCHEMBL4476107 0.79 CNR2 (0.66) CNR2KDM4EATMALDH1A1TACR1
SCHEMBL4468418 0.77 CNR2 (0.64) CNR2KDM4EATMALDH1A1MEN1
SCHEMBL4483088 0.77 CNR2 (0.60) CNR2KDM4EATMALDH1A1TACR1
SCHEMBL4481096 0.77 CNR2 (0.60) CNR2KDM4EATMALDH1A1TACR1
SCHEMBL4474249 0.76 CNR2 (0.59) CNR2KDM4EATMALDH1A1TACR1
SCHEMBL4480824 0.76 CNR2 (0.59) CNR2KDM4EATMALDH1A1TACR1

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