SCHEMBL18285302

SCHEMBL18285302

CCC(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2)cc(-n2ccnc2C(C)(C)C)c1.CCC(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2)cc(-n2ccnc2C(C)C)c1.CCC(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2)cc(-n2ccnc2CO)c1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.32
CNR2 P34972 4/20 0.32
ANO1 Q5XXA6 2/20 0.32
MAPT P10636 1/20 0.32
PDE4B Q07343 3/20 0.32
PDE4A P27815 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
PDE2A O00408 1/20 0.32
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18285363 0.94 PDE4B (0.35) CNR1CNR2ANO1PDE4BPDE4A
SCHEMBL18285369 0.89 PDE4B (0.38) CNR1CNR2ANO1PDE4BPDE4A
SCHEMBL18285368 0.89 CNR2 (0.38) CNR1CNR2ANO1MAPTPDE4B
SCHEMBL18285318 0.88 ANO1 (0.39) CNR1CNR2ANO1MAPTL3MBTL1
SCHEMBL18285307 0.84 CNR2 (0.42) CNR1CNR2ANO1PDE4BPDE4A
SCHEMBL18285317 0.82 CNR2 (0.46) CNR1CNR2ANO1
SCHEMBL18285299 0.81 CNR1 (0.43) CNR1ANO1PDE4BPDE4APDE4C
SCHEMBL18285329 0.81 CNR1 (0.41) CNR1CNR2ANO1MAPTPDE4B
SCHEMBL18285304 0.79 CNR1 (0.42) CNR1ANO1
SCHEMBL18285358 0.78 P2RX3 (0.35) CNR1ANO1PDE4BPDE4APDE4C

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-3303299-A1 IMIDAZOLE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-04-11 EP disclosed
WO-2016193235-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-12-08 WO disclosed