SCHEMBL1837271

SCHEMBL1837271

COc1ccc(C2(C(COc3c(C)cc(C#N)cc3C)C3CCCCC3)Nc3cc(F)c(F)cc3N2)c(OC)n1

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
SCHEMBL1842469 0.94 NR1H4 (0.31) NR1H4
SCHEMBL1840258 0.86 NR1H4 (0.36) NR1H4
SCHEMBL1836831 0.82 NR1H4 (0.36) NR1H4
SCHEMBL1840602 0.81 NR1H4 (0.36) NR1H4
SCHEMBL1843649 0.81 NR1H4 (0.36) NR1H4
SCHEMBL1841709 0.80 NR1H4 (0.38) NR1H4
SCHEMBL1838802 0.80 NR1H4 (0.33) NR1H4
SCHEMBL1840576 0.79 NR1H4 (0.32) NR1H4
SCHEMBL1838285 0.78 NR1H4 (0.37) NR1H4
SCHEMBL1841219 0.78 NR1H4 (0.38) NR1H4

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