SCHEMBL3665597

SCHEMBL3665597

COc1ccc2nccc(N3CC[C@H](C(N)=O)C3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 1/20 0.51
KMT2A Q03164 1/20 0.44
EHMT2 Q96KQ7 2/20 0.44
EHMT1 Q9H9B1 2/20 0.44
PBK Q96KB5 1/20 0.43
PIK3CA P42336 2/20 0.41
CYP2C19 P33261 1/20 0.41
MAP4K4 O95819 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
KCNH2 Q12809 4/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACVR1 Q04771 1/20 0.38

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
SCHEMBL3668757 1.00 CYP8B1 (0.51) CYP8B1KMT2AEHMT2EHMT1PBK
SCHEMBL3667650 1.00 CYP8B1 (0.51) CYP8B1KMT2AEHMT2EHMT1PBK
SCHEMBL1224249 0.91 EHMT2 (0.49) CYP8B1KMT2AEHMT2EHMT1PBK
SCHEMBL3665484 0.90 CYP8B1 (0.53) CYP8B1EHMT2EHMT1PIK3CACYP2C19
SCHEMBL10078646 0.90 CYP8B1 (0.53) CYP8B1EHMT2EHMT1PIK3CACYP2C19
SCHEMBL1224565 0.90 CYP8B1 (0.53) CYP8B1EHMT2EHMT1PIK3CACYP2C19
SCHEMBL3630741 0.83 EHMT2 (0.48) CYP8B1EHMT2EHMT1PIK3CAPIK3CD
SCHEMBL1222688 0.83 CYP2C19 (0.54) CYP8B1PBKPIK3CACYP2C19MAP4K4
SCHEMBL3634872 0.83 CYP2C19 (0.54) CYP8B1PBKPIK3CACYP2C19MAP4K4
SCHEMBL3636416 0.83 CYP2C19 (0.54) CYP8B1PBKPIK3CACYP2C19MAP4K4

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-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
US-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US 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