SCHEMBL4694748

SCHEMBL4694748

CCN1CCN(Cc2ccc(-c3cccc(C)c3)c(Cl)c2)CC1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.46
P2RX7 Q99572 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
NR1H2 P55055 5/20 0.39
NR1H3 Q13133 4/20 0.39
BCHE P06276 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
CYP3A4 P08684 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPN P05981 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 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
SCHEMBL4477428 0.83 CNR2 (0.64) CNR2P2RX7ALDH1A1SIGMAR1NR1H2
SCHEMBL4476194 0.81 CNR2 (0.58) CNR2P2RX7SIGMAR1CYP2D6
SCHEMBL4649589 0.79 CNR2 (0.50) CNR2P2RX7ALDH1A1SIGMAR1CD274
SCHEMBL27489861 0.74 P2RX7 (0.50) CNR2P2RX7KDM4EALDH1A1SIGMAR1
SCHEMBL4468418 0.71 CNR2 (0.64) CNR2P2RX7KDM4EALDH1A1NR1H2
SCHEMBL4649711 0.71 CNR2 (0.56) CNR2P2RX7NR1H2NR1H3LMNA
SCHEMBL4472224 0.70 CNR2 (0.66) CNR2P2RX7ALDH1A1SIGMAR1BCHE
SCHEMBL16226782 0.69 SIGMAR1 (0.55) ALDH1A1SIGMAR1NR1H2NR1H3CYP3A4
SCHEMBL4751823 0.68 CNR2 (0.55) CNR2P2RX7CYP2D6DRD2DRD4
SCHEMBL4473536 0.68 CNR2 (0.57) CNR2ALDH1A1SIGMAR1LMNA

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