SCHEMBL2549514

SCHEMBL2549514

CC(C)(C)OC(=O)N1Cc2cc(C3(Cl)CCC(c4cccc(OC(F)(F)F)c4)CC3)ccc2-n2cnnc2C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.35
GLS O94925 2/20 0.34
GPR119 Q8TDV5 3/20 0.33
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
NAMPT P43490 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HCRTR2 O43614 2/20 0.32
HSD11B1 P28845 1/20 0.32
PIM1 P11309 1/20 0.32
SGPL1 O95470 1/20 0.31
S1PR1 P21453 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
SCHEMBL2550063 0.89 NAMPT (0.40) GPR119DDB1CRBNOXTRAVPR1A
SCHEMBL2552066 0.86 GPR119 (0.38) GPR119DDB1CRBNOXTRAVPR1A
SCHEMBL2556747 0.85 HDAC1 (0.38) GPR119DDB1CRBNOXTRAVPR1A
SCHEMBL2336519 0.85 DDB1 (0.35) GPR119DDB1CRBNOXTRAVPR1A
SCHEMBL2579657 0.84 OXTR (0.36) GPR119DDB1CRBNOXTRAVPR1A
SCHEMBL2474689 0.84 GPR119 (0.39) MGLLGPR119ABHD6HRH3
SCHEMBL2573984 0.83 HSD11B1 (0.35) GLSABHD6HSD11B1PIM1
SCHEMBL2580300 0.83 OXTR (0.36) GPR119DDB1CRBNOXTRAVPR1A
SCHEMBL2574746 0.83 OXTR (0.34) GPR119DDB1CRBNOXTRAVPR1A
SCHEMBL2581930 0.83 OXTR (0.34) GPR119DDB1CRBNOXTRAVPR1A

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-2552919-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. Hoffmann-La Roche AG (CH) 2013-02-06 EP disclosed
WO-2011120877-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-06 WO disclosed