SCHEMBL6870889

SCHEMBL6870889

CCOC(=O)c1cc2cc(OCc3oc4cccc(OCC5CCCN(Cc6cccnc6)C5)c4c3C)ccc2o1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.44
MAOB P27338 9/20 0.44
ACHE P22303 3/20 0.43
NMT2 O60551 5/20 0.41
NMT1 P30419 5/20 0.41

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
SCHEMBL6871393 0.89 MAOA (0.44) MAOAMAOBACHENMT2NMT1
SCHEMBL3478595 0.88 MAOA (0.48) MAOAMAOBACHENMT2NMT1
SCHEMBL6871614 0.83 NMT2 (0.57) MAOAMAOBACHENMT2NMT1
SCHEMBL6869562 0.81 MAOA (0.50) MAOAMAOBACHENMT2NMT1
SCHEMBL6863650 0.79 MAOA (0.44) MAOAMAOBACHENMT2NMT1
SCHEMBL3470262 0.78 NMT2 (0.68) NMT2NMT1
SCHEMBL6870895 0.76 NMT2 (0.39) NMT2NMT1
SCHEMBL3470217 0.74 NMT2 (0.42) NMT2NMT1
SCHEMBL7889774 0.74 NMT2 (0.38) NMT2NMT1
SCHEMBL3472648 0.74 NMT2 (0.70) 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 4 patents. 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 disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US disclosed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 WO disclosed