SCHEMBL4715208

SCHEMBL4715208

CCCCn1ncc(C(=O)O)c1COC

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.45
NR4A3 Q92570 1/20 0.40
HCAR3 P49019 1/20 0.36

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
SCHEMBL4717579 0.87 AGTR1 (0.44) AGTR1NR4A3HCAR3
SCHEMBL27737816 0.85 NR4A3 (0.51) AGTR1NR4A3HCAR3
SCHEMBL31053372 0.79 NR4A3 (0.43) NR4A3
SCHEMBL4716984 0.77 AGTR1 (0.42) AGTR1NR4A3HCAR3
SCHEMBL4719726 0.77 LMNA (0.43)
SCHEMBL4716749 0.76 AGTR1 (0.41) AGTR1NR4A3HCAR3
SCHEMBL28036519 0.76 MAPK14 (0.46) AGTR1
SCHEMBL13126531 0.74 KMT2A (0.36)
SCHEMBL369444 0.73 NPBWR1 (0.48)
SCHEMBL4719231 0.72 POLB (0.48) AGTR1NR4A3HCAR3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101405270-B Pyrazoles as 11-beta-HSD-1 HOFFMANN LA ROCHE 2013-01-16 CN claimed
CN-101405270-A Pyrazoles as 11-beta-HSD-1 HOFFMANN LA ROCHE (CH) 2009-04-08 CN claimed
CN-101405270-B Pyrazoles as 11-beta-HSD-1 HOFFMANN LA ROCHE 2013-01-16 CN disclosed
CN-101405270-A Pyrazoles as 11-beta-HSD-1 HOFFMANN LA ROCHE (CH) 2009-04-08 CN disclosed
EP-1999114-A2 PYRAZOLES AS 11-BETA-HSD-1 F. Hoffmann-la Roche AG (CH) 2008-12-10 EP disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed