SCHEMBL4599782

SCHEMBL4599782

COCc1nc(-c2ccc(OCCC(F)(F)F)cc2)c(-c2ccc(Cl)cc2)nc1C(O)=S.NC(=O)C1CCCC(N)C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.42
MCHR1 Q99705 2/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
HSD11B1 P28845 1/20 0.31
APAF1 O14727 1/20 0.31
HPGD P15428 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MGAT2 Q10469 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4599786 0.92 CNR1 (0.47) CNR1FFAR1FFAR4MGAT2
SCHEMBL4243036 0.84 CNR1 (0.48) CNR1FFAR1FFAR4MGAT2PTGDR2
SCHEMBL4243035 0.78 CNR1 (0.48) CNR1FFAR1FFAR4PTGDR2
SCHEMBL4600541 0.76 CNR1 (0.65) CNR1APAF1HPGDCACNA1BAPBA1
SCHEMBL4600547 0.72 CNR1 (0.69) CNR1CACNA1B
SCHEMBL4247679 0.72 CNR1 (0.57) CNR1HSD17B10TDP1PTGDR2
SCHEMBL4681021 0.66 CNR1 (0.57) CNR1PTGDR2NPC1ALDH1A1RAB9A
SCHEMBL4248289 0.64 CNR1 (0.61) CNR1FFAR1FFAR4
SCHEMBL4247678 0.64 CNR1 (0.57) CNR1PTGDR2NPC1ALDH1A1RAB9A
SCHEMBL4680862 0.63 CNR1 (0.59) CNR1PTGDR2NPC1ALDH1A1RAB9A

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 claimed
WO-2007010222-A2 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-01-25 WO claimed