SCHEMBL1840576

SCHEMBL1840576

Cc1cc(C#N)cc(C)c1OCC(C1CCCC1)C1(c2ccc(Cl)cc2)Nc2cc(F)c(F)cc2N1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 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
SCHEMBL1838802 0.99 NR1H4 (0.33) NR1H4
SCHEMBL1841221 0.96
SCHEMBL1840572 0.92
SCHEMBL1843296 0.91
SCHEMBL1841980 0.90 NR1H4 (0.34) NR1H4
SCHEMBL1843185 0.85
SCHEMBL1841925 0.84 NR1H4 (0.47) NR1H4
SCHEMBL1841802 0.84 NR1H4 (0.33) NR1H4
SCHEMBL1840349 0.83 NR1H4 (0.40) NR1H4
SCHEMBL1840308 0.82 HSD11B1 (0.40)

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-2321282-A1 NEW BENZIMIDAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
WO-2010028981-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-18 WO disclosed