SCHEMBL2471774

SCHEMBL2471774

CC1CC(Cl)(c2ccc3c(c2)CNCc2nncn2-3)CCC1Oc1cnccn1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 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
SCHEMBL2471322 0.91 AVPR1A (0.33)
SCHEMBL2472822 0.90
SCHEMBL2474676 0.88 AVPR1A (0.31)
SCHEMBL2474258 0.87
SCHEMBL2472708 0.87 CYP11B2 (0.33) CYP11B2
SCHEMBL2564790 0.85 CYP11B2 (0.32) CYP11B2
SCHEMBL2475001 0.85 AADAT (0.32)
SCHEMBL2474345 0.84
SCHEMBL2340647 0.82
SCHEMBL2559875 0.81 CYP11B2 (0.38) CYP11B2

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-2370441-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-10-05 EP disclosed
WO-2010060836-A1 ARYLCYCLOHEXYLETHERS OF DIHYDROTETRAAZABENZOAZULENES FOR USE AS VASOPRESSIN VIA RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-03 WO disclosed