SCHEMBL4599786

SCHEMBL4599786

COCc1nc(-c2ccc(OCCC(F)(F)F)cc2)c(-c2ccc(Cl)cc2)nc1C(O)=S.NC1CCCC(N)C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.47
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MGAT2 Q10469 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
SCHEMBL4599782 0.92 CNR1 (0.42) CNR1FFAR1FFAR4MGAT2
SCHEMBL4243036 0.89 CNR1 (0.48) CNR1FFAR1FFAR4MGAT2
SCHEMBL4243035 0.79 CNR1 (0.48) CNR1FFAR1FFAR4
SCHEMBL4600547 0.77 CNR1 (0.69) CNR1
SCHEMBL4247679 0.76 CNR1 (0.57) CNR1
SCHEMBL4600541 0.70 CNR1 (0.65) CNR1
SCHEMBL4248289 0.68 CNR1 (0.61) CNR1FFAR1FFAR4
SCHEMBL4681021 0.66 CNR1 (0.57) CNR1
SCHEMBL4247678 0.63 CNR1 (0.57) CNR1
SCHEMBL4680862 0.62 CNR1 (0.59) CNR1

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