SCHEMBL3633671

SCHEMBL3633671

COc1ccc2nc(C)cc(N(C[C@@H]3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)C3CNC3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRM2 Q14416 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 5/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL3636351 0.90 KCNH2 (0.40) MAOAMAOBKCNH2GRM2SIGMAR1
SCHEMBL3634036 0.86 MAOA (0.37) MAOAMAOBKCNH2GRM2SIGMAR1
SCHEMBL3629842 0.85 GRM2 (0.35) MAOAMAOBKCNH2GRM2
SCHEMBL3633094 0.85 KCNH2 (0.38) MAOAMAOBKCNH2GRM2
SCHEMBL1224257 0.80 TSHR (0.44) MAOAMAOBTSHRNPSR1KCNH2
SCHEMBL3629692 0.80 HPGD (0.33) MAOAMAOBKCNH2GRM2KMT2A
SCHEMBL1224255 0.80 TSHR (0.44) MAOAMAOBTSHRNPSR1KCNH2
SCHEMBL3629846 0.79 MAOA (0.32) MAOAMAOBGRM2ALDH1A1POLB
SCHEMBL3634394 0.77 KCNH2 (0.35) KCNH2
SCHEMBL3636593 0.77 DRD4 (0.40) KCNH2GRM2ALDH1A1SIGMAR1MAPT

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