SCHEMBL6454643

SCHEMBL6454643

Clc1ccc(-c2c(OC3CC3)nc(OC3CC3)nc2-c2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.33
CNR2 P34972 1/20 0.33
CACNB4 O00305 4/20 0.33
CACNA1A O00555 4/20 0.33
CACNA1G O43497 4/20 0.33
CACNG3 O60359 4/20 0.33
CACNA1F O60840 4/20 0.33
CACNA1H O95180 4/20 0.33
CACNB3 P54284 4/20 0.33
CACNA2D1 P54289 4/20 0.33
CACNG7 P62955 4/20 0.33
CACNA1B Q00975 4/20 0.33
CACNA1D Q01668 4/20 0.33
CACNB1 Q02641 4/20 0.33
CACNG1 Q06432 4/20 0.33
CACNB2 Q08289 4/20 0.33
CACNA1S Q13698 4/20 0.33
CACNA1C Q13936 4/20 0.33
CACNA1E Q15878 4/20 0.33
CACNA2D4 Q7Z3S7 4/20 0.33

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
SCHEMBL4809553 0.85 CNR1 (0.46) CNR1CNR2
SCHEMBL4805178 0.73 CNR1 (0.43) CNR1CNR2
SCHEMBL4807832 0.70 CNR1 (0.40) CNR1CNR2
SCHEMBL4807053 0.70 CNR1 (0.48) CNR1CNR2
SCHEMBL4801677 0.68 CNR1 (0.43) CNR1CNR2
SCHEMBL6440656 0.68 GAA (0.36) CNR1CNR2
SCHEMBL4807617 0.67 PTGS2 (0.38) CNR1CNR2
SCHEMBL4800838 0.67 CNR1 (0.42) CNR1CNR2
SCHEMBL6437376 0.64 CNR1 (0.45) CNR1CNR2
SCHEMBL4808245 0.62 CNR1 (0.53) CNR1CNR2

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-1546115-A2 SUBSTITUTED PYRIMIDINES Merck & Co., Inc. (US) 2005-06-29 EP disclosed
WO-2004029204-A2 SUBSTITUTED PYRIMIDINES MERCK & CO., INC. (US) 2004-04-08 WO disclosed