SCHEMBL6863650

SCHEMBL6863650

CCOC(=O)Oc1oc2cccc(OCC3CCCN(Cc4cccnc4)C3)c2c1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.44
MAOB P27338 9/20 0.44
ACHE P22303 4/20 0.43
NMT2 O60551 2/20 0.42
NMT1 P30419 2/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
BCHE P06276 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL6871614 0.88 NMT2 (0.57) MAOAMAOBACHENMT2NMT1
SCHEMBL6869562 0.83 MAOA (0.50) MAOAMAOBACHENMT2NMT1
SCHEMBL6868645 0.83 PKM (0.45) MAOAMAOBNMT2NMT1PKM
SCHEMBL6870953 0.81 NMT2 (0.52) NMT2NMT1
SCHEMBL6870889 0.79 MAOA (0.44) MAOAMAOBACHENMT2NMT1
SCHEMBL6871393 0.76 MAOA (0.44) MAOAMAOBACHENMT2NMT1
SCHEMBL3478595 0.74 MAOA (0.48) MAOAMAOBACHENMT2NMT1
SCHEMBL6874419 0.73 NMT2 (0.75) NMT2NMT1
SCHEMBL6863714 0.73 NMT2 (0.55) NMT2NMT1
SCHEMBL6868611 0.73 NMT2 (0.64) NMT2NMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP claimed