SCHEMBL4600541

SCHEMBL4600541

COCc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(O)=S.NC(=O)C1CCC(F)(F)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.65
MALT1 Q9UDY8 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
P2RX7 Q99572 2/20 0.32
CACNA1B Q00975 2/20 0.32
APAF1 O14727 1/20 0.32
HPGD P15428 1/20 0.32
APBA1 Q02410 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
VCP P55072 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CACNB4 O00305 1/20 0.31
CACNA1A O00555 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNG3 O60359 1/20 0.31
CACNA1F O60840 1/20 0.31

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
SCHEMBL4600547 0.89 CNR1 (0.69) CNR1MALT1NR1H4P2RX7CACNA1B
SCHEMBL4247679 0.81 CNR1 (0.57) CNR1HSD17B10TDP1GAACTSA
SCHEMBL4679409 0.79 CNR1 (1.00) CNR1NR1H4GSK3BDYRK1A
SCHEMBL4599782 0.76 CNR1 (0.42) CNR1CACNA1BAPAF1HPGDAPBA1
SCHEMBL4677342 0.75 CNR1 (0.69) CNR1
SCHEMBL4681021 0.74 CNR1 (0.57) CNR1ALDH1A1GAASMN1; SMN2PTGDR2
SCHEMBL4247678 0.71 CNR1 (0.57) CNR1ALDH1A1SMN1; SMN2PTGDR2
SCHEMBL4243036 0.71 CNR1 (0.48) CNR1SMN1; SMN2PTGDR2
SCHEMBL4680862 0.70 CNR1 (0.59) CNR1ALDH1A1SMN1; SMN2PTGDR2
SCHEMBL4242266 0.69 CNR1 (0.73) CNR1MALT1NR1H4

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-1910304-A2 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007010222-A2 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-01-25 WO disclosed