SCHEMBL1923077

SCHEMBL1923077

Cn1c(=O)c(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn(-c2ccc(F)cc2)c1=O.Cn1c(=O)c(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn(-c2cccnc2)c1=O.Cn1c(=O)c(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn(-c2ccsc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 17/20 0.48
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38

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
SCHEMBL1781562 0.89 SCD (0.58) SCDCYP3A4CYP2D6
SCHEMBL1782410 0.89 SCD (0.56) SCD
SCHEMBL1779604 0.86 SCD (0.60) SCD
SCHEMBL1783471 0.78 SCD (0.55) SCD
SCHEMBL1779895 0.75 SCD (0.67) SCD
SCHEMBL1781074 0.74 SCD (0.59) SCD
SCHEMBL1781541 0.74 SCD (0.59) SCD
SCHEMBL1782398 0.70 SCD (0.59) SCD
SCHEMBL1780668 0.70 SCD (0.65) SCD
SCHEMBL1783032 0.70 SCD (0.60) SCD

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-2328886-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS Pierre Fabre Médicament (FR) 2011-06-08 — — EP disclosed
WO-2010006962-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2010-01-21 — — WO disclosed
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