SCHEMBL3671689

SCHEMBL3671689

COc1ccc2nccc(N3C[C@@H](N)[C@H](OC)C3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP8B1 Q9UNU6 1/20 0.40
CYP2C19 P33261 1/20 0.35
PIK3CA P42336 1/20 0.35
ACVR1 Q04771 1/20 0.35
KCNH2 Q12809 6/20 0.33
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 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
SCHEMBL1222910 1.00 CYP8B1 (0.40) CYP8B1CYP2C19PIK3CAACVR1KCNH2
SCHEMBL1222911 1.00 CYP8B1 (0.40) CYP8B1CYP2C19PIK3CAACVR1KCNH2
SCHEMBL3671685 1.00 CYP8B1 (0.40) CYP8B1CYP2C19PIK3CAACVR1KCNH2
SCHEMBL1224035 0.86 CYP2C19 (0.43) CYP8B1CYP2C19PIK3CAACVR1KCNH2
SCHEMBL10078618 0.86 CYP8B1 (0.42) CYP8B1CYP2C19PIK3CAACVR1KCNH2
SCHEMBL10078619 0.86 CYP8B1 (0.42) CYP8B1CYP2C19PIK3CAACVR1KCNH2
SCHEMBL16986057 0.84 CYP8B1 (0.41) CYP8B1CYP2C19PIK3CAACVR1KCNH2
SCHEMBL16986064 0.82 CYP8B1 (0.47) CYP8B1CYP2C19PIK3CAKCNH2PIM3
SCHEMBL1222886 0.81 CYP8B1 (0.41) CYP8B1ACVR1KCNH2
SCHEMBL16986073 0.80 CYP8B1 (0.37) CYP8B1ACVR1KCNH2

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