SCHEMBL4650403

SCHEMBL4650403

O=CC(c1ccccc1)N1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)C[C@H]1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.52
LMNA P02545 2/20 0.41
TACR1 P25103 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

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 1.00 CNR2 (0.52) CNR2LMNATACR1KDM4EALDH1A1
SCHEMBL4650434 0.87 CNR2 (0.56) CNR2LMNATACR1KDM4EALDH1A1
SCHEMBL4468306 0.85 CNR2 (0.56) CNR2LMNATACR1KDM4EALDH1A1
SCHEMBL4465011 0.80 CNR2 (0.59) CNR2LMNAKDM4EALDH1A1ATM
SCHEMBL4465004 0.80 CNR2 (0.59) CNR2LMNAKDM4EALDH1A1ATM
SCHEMBL4650470 0.80 CNR2 (0.52) CNR2LMNATACR1MEN1KMT2A
SCHEMBL4485570 0.79 CNR2 (0.57) CNR2LMNAKDM4EALDH1A1ATM
SCHEMBL4471986 0.78 CNR2 (0.54) CNR2LMNAKDM4EALDH1A1ATM
SCHEMBL4471991 0.78 CNR2 (0.54) CNR2LMNAKDM4EALDH1A1ATM
SCHEMBL4481105 0.78 CNR2 (0.54) CNR2LMNAKDM4EALDH1A1ATM

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