SCHEMBL2545245

SCHEMBL2545245

CC1CC(Cl)(c2ccc3c(c2)CNCc2nncn2-3)CCC1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL2545967 0.91
SCHEMBL2559875 0.91 CYP11B2 (0.38)
SCHEMBL2565568 0.89 AVPR1A (0.31)
SCHEMBL2559972 0.89 AVPR1A (0.33)
SCHEMBL2548604 0.88
SCHEMBL2562984 0.88 CYP11B2 (0.31)
SCHEMBL2576811 0.87
SCHEMBL2475001 0.86 AADAT (0.32) OPRK1PDE4D
SCHEMBL2564790 0.85 CYP11B2 (0.32)
SCHEMBL2559937 0.85

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