SCHEMBL10078618

SCHEMBL10078618

COc1ccc2nccc(N3CC(N)C(O)C3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 1/20 0.42
PIM2 Q9P1W9 2/20 0.35
PIM3 Q86V86 1/20 0.35
PIK3CA P42336 2/20 0.35
CYP2C19 P33261 1/20 0.35
ACVR1 Q04771 1/20 0.35
KCNH2 Q12809 6/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33

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
SCHEMBL10078619 1.00 CYP8B1 (0.42) CYP8B1PIM2PIM3PIK3CACYP2C19
SCHEMBL1224184 0.87 CYP8B1 (0.41) CYP8B1PIK3CAACVR1KCNH2PIK3CD
SCHEMBL1224187 0.87 CYP8B1 (0.41) CYP8B1PIK3CAACVR1KCNH2PIK3CD
SCHEMBL1224035 0.86 CYP2C19 (0.43) CYP8B1PIK3CACYP2C19ACVR1KCNH2
SCHEMBL1222910 0.86 CYP8B1 (0.40) CYP8B1PIM2PIM3PIK3CACYP2C19
SCHEMBL3671689 0.86 CYP8B1 (0.40) CYP8B1PIM2PIM3PIK3CACYP2C19
SCHEMBL3671685 0.86 CYP8B1 (0.40) CYP8B1PIM2PIM3PIK3CACYP2C19
SCHEMBL1222911 0.86 CYP8B1 (0.40) CYP8B1PIM2PIM3PIK3CACYP2C19
SCHEMBL16986064 0.84 CYP8B1 (0.47) CYP8B1PIM2PIM3PIK3CACYP2C19
SCHEMBL16986057 0.84 CYP8B1 (0.41) CYP8B1PIK3CACYP2C19ACVR1KCNH2

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 3 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