SCHEMBL1923693

SCHEMBL1923693

CCCCCCCn1c(=O)[nH]nc(N2CCC(Oc3ccccc3Cl)CC2)c1=O.Cc1ccccc1-n1nc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)c(=O)n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 13/20 0.44
▸ ADRA1D P25100 2/20 0.38
▸ ADRA1A P35348 2/20 0.38
▸ ADRA1B P35368 2/20 0.38
▸ RBP4 P02753 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ TRPA1 O75762 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 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
SCHEMBL1780694 0.83 SCD (0.54) SCD
SCHEMBL1781541 0.82 SCD (0.59) SCDRBP4TTR
SCHEMBL1782523 0.76 SCD (0.55) SCDADRA1DADRA1AADRA1B
SCHEMBL1780668 0.76 SCD (0.65) SCDRBP4TTR
SCHEMBL1781074 0.74 SCD (0.59) SCDRBP4TTR
SCHEMBL1781011 0.73 SCD (0.59) SCDRBP4TTRCYP3A4
SCHEMBL1783078 0.71 SCD (0.51) SCDRBP4TTRCYP3A4
SCHEMBL1779895 0.70 SCD (0.67) SCDRBP4TTR
SCHEMBL1779604 0.70 SCD (0.60) SCDRBP4TTR
SCHEMBL1782516 0.70 SCD (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011528007-A — — 2011-11-10 — — JP claimed
EP-2328886-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS Pierre Fabre Médicament (FR) 2011-06-08 — — EP claimed
WO-2010006962-A1 DERIVATIVES OF TRIAZINES AND URACILS, THEIR PREPARATION AND THEIR APPLICATION IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2010-01-21 — — WO claimed
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