SCHEMBL3629692

SCHEMBL3629692

COc1ccc2cccc(N(C[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)C3CNC3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.33
GRM2 Q14416 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KCNH2 Q12809 2/20 0.31

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
SCHEMBL3636493 0.89 MAOB (0.33) HPGDALDH1A1LMNAMAOAMAOB
SCHEMBL3634394 0.84 KCNH2 (0.35) KCNH2
SCHEMBL3633217 0.82 KCNH2 (0.35) KCNH2
SCHEMBL3634497 0.82 KCNH2 (0.34) HPGDKCNH2
SCHEMBL3629842 0.82 GRM2 (0.35) GRM2MAOAMAOBKCNH2
SCHEMBL3629666 0.80 KCNH2 (0.34) HPGDGRM2KCNH2
SCHEMBL1224025 0.80 KCNH2 (0.34) HPGDGRM2KCNH2
SCHEMBL3633671 0.80 MAOA (0.37) GRM2ALDH1A1MEN1KMT2AMAOA
SCHEMBL1224166 0.79 KCNH2 (0.35) GRM2ALDH1A1LMNAKCNH2
SCHEMBL1224167 0.79 KCNH2 (0.35) GRM2ALDH1A1LMNAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144910-A2 OXAZOLIDINONE ANTIBIOTICS Actelion Pharmaceuticals Ltd. (CH) 2010-01-20 EP claimed
WO-2008126034-A2 OXAZOLIDINONE ANTIBIOTICS ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO claimed
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