SCHEMBL4649711

SCHEMBL4649711

Cc1ccc(Cl)c(-c2ccc(CN3CCN(CC(C)(C)C=O)C(c4ccccc4)C3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.56
NR1H2 P55055 6/20 0.38
NR1H3 Q13133 5/20 0.38
P2RX7 Q99572 1/20 0.37
RORC P51449 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
HTT P42858 1/20 0.35

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 0.87 CNR2 (0.64) CNR2NR1H2NR1H3P2RX7LMNA
SCHEMBL4651372 0.87 CNR2 (0.51) CNR2RORCLMNAPOLBHTT
SCHEMBL4472224 0.81 CNR2 (0.66) CNR2P2RX7LMNAPOLBS1PR1
SCHEMBL4476258 0.80 CNR2 (0.58) CNR2P2RX7S1PR1S1PR5
SCHEMBL4481910 0.79 CNR2 (0.61) CNR2P2RX7S1PR1S1PR5HTT
SCHEMBL4466232 0.79 CNR2 (0.61) CNR2NR1H2NR1H3LMNAPOLB
SCHEMBL4651291 0.79 CNR2 (0.56) CNR2LMNAPOLBS1PR1S1PR5
SCHEMBL14495607 0.78 CNR2 (0.63) CNR2LMNAPOLBS1PR1S1PR5
SCHEMBL4482477 0.78 CNR2 (0.63) CNR2LMNAPOLBS1PR1S1PR5
SCHEMBL4473174 0.77 CNR2 (0.59) CNR2NR1H2NR1H3

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