SCHEMBL1838285

SCHEMBL1838285

COc1ccc(C2(C(COc3ccc(C(=O)O)cn3)C3CCCCC3)Nc3cc(F)c(F)cc3N2)c(OC)n1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.37
MAPT P10636 1/20 0.34
HCAR3 P49019 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
GCK P35557 2/20 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
SCHEMBL1839027 0.93 NR1H4 (0.37) NR1H4CXCR1CXCR2
SCHEMBL1841709 0.91 NR1H4 (0.38) NR1H4MAPT
SCHEMBL1841219 0.90 NR1H4 (0.38) NR1H4L3MBTL1
SCHEMBL1836831 0.90 NR1H4 (0.36) NR1H4
SCHEMBL197865 0.88 NR1H4 (0.37) NR1H4
SCHEMBL1837938 0.87 NR1H4 (0.34) NR1H4
SCHEMBL1841971 0.87 NR1H4 (0.35) NR1H4
SCHEMBL1839973 0.85 NR1H4 (0.38) NR1H4
SCHEMBL1840968 0.85 NR1H4 (0.38) NR1H4L3MBTL1
SCHEMBL1840286 0.84 NR1H4 (0.40) NR1H4MAPT

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 4 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 claimed
WO-2010028981-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-18 WO claimed
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