SCHEMBL5088056

SCHEMBL5088056

Clc1cccc(-c2ccc(-c3ccc[nH]3)nn2)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.49
CNR1 P21554 2/20 0.47
IDO1 P14902 1/20 0.45
NOTUM Q6P988 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CYP2D6 P10635 1/20 0.36
MAOA P21397 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
SCN4A P35499 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
PDE3A Q14432 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL10702785 0.81 AURKA (0.42) CNR2IDO1NOTUMCHRNB4CHRNA3
SCHEMBL28410711 0.78 IDO1 (0.43) CNR2CNR1IDO1NOTUMCHRNB4
SCHEMBL14568109 0.76 CNR2 (0.48) CNR2CNR1IDO1NOTUM
SCHEMBL5084514 0.75 CNR2 (0.57) CNR2CNR1IDO1NOTUMCYP2D6
SCHEMBL5085230 0.75 CNR2 (0.48) CNR2CNR1IDO1NOTUMCYP2D6
SCHEMBL5085295 0.73 CNR2 (0.54) CNR2CNR1IDO1NOTUMCYP2D6
SCHEMBL5087450 0.73 CNR2 (0.54) CNR2CNR1IDO1NOTUMCYP2D6
SCHEMBL14051355 0.70 CNR2 (0.52) CNR2CNR1IDO1NOTUMCYP2D6
SCHEMBL6335721 0.69 CYP2A6 (0.44) IDO1CHRNB4CHRNA3ADRA1A
SCHEMBL28400622 0.68 SLC9A1 (0.39) IDO1CHRNB4CHRNA3CYP2D6MAOA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008116816-A1 COMBINATION OF CB2 LIGAND AND PARACETAMOL GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
WO-2008116816-A1 COMBINATION OF CB2 LIGAND AND PARACETAMOL GLAXO GROUP LIMITED (GB) 2008-10-02 WO disclosed
WO-2007022938-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-03-01 WO disclosed
WO-2007022938-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-03-01 WO disclosed