SCHEMBL3668388

SCHEMBL3668388

COc1ccc2nccc(N3CCC[C@@H](N)C3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
PIK3CA P42336 1/20 0.48
PBK Q96KB5 2/20 0.47
CYP8B1 Q9UNU6 1/20 0.47
MAP4K4 O95819 3/20 0.46
PIM2 Q9P1W9 4/20 0.44
ADRA1D P25100 2/20 0.42
ADRA1B P35368 2/20 0.42
ADRA1A P35348 1/20 0.42
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 4/20 0.41
CDC42BPB Q9Y5S2 4/20 0.41
CDC42BPA Q5VT25 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
PIM1 P11309 2/20 0.40
PIM3 Q86V86 1/20 0.40

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
SCHEMBL1224071 1.00 CYP2C19 (0.48) CYP2C19PIK3CAPBKCYP8B1MAP4K4
SCHEMBL3636416 0.93 CYP2C19 (0.54) CYP2C19PIK3CAPBKCYP8B1MAP4K4
SCHEMBL1222688 0.93 CYP2C19 (0.54) CYP2C19PIK3CAPBKCYP8B1MAP4K4
SCHEMBL3634872 0.93 CYP2C19 (0.54) CYP2C19PIK3CAPBKCYP8B1MAP4K4
SCHEMBL1224035 0.88 CYP2C19 (0.43) CYP2C19PIK3CACYP8B1HRH4
SCHEMBL1222834 0.85 CYP2C19 (0.46) CYP2C19PIK3CACYP8B1ROCK2ROCK1
SCHEMBL3168429 0.81 CYP8B1 (0.50) CYP2C19PIK3CACYP8B1
SCHEMBL16986057 0.81 CYP8B1 (0.41) CYP2C19PIK3CACYP8B1
SCHEMBL1224385 0.81 CYP8B1 (0.46) CYP2C19PIK3CAPBKCYP8B1MAP4K4
SCHEMBL3179377 0.81 CYP8B1 (0.46) CYP2C19PIK3CAPBKCYP8B1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2905283-B1 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2016-12-14 EP disclosed
EP-2915813-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-09-09 EP disclosed
EP-2905283-A1 Oxazolidinone antibiotics Actelion Pharmaceuticals Ltd. (CH) 2015-08-12 EP disclosed
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP disclosed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed