SCHEMBL6870477

SCHEMBL6870477

CCCc1c(OC(=O)OCC)oc2cccc(OCCCNC(C)(C)C)c12

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 12/20 0.61
NMT1 P30419 12/20 0.61
ADRB2 P07550 3/20 0.61
ADRB1 P08588 3/20 0.61
ADRB3 P13945 3/20 0.61
GAA P10253 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL6871630 0.96 NMT2 (0.61) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6870862 0.90 NMT2 (0.62) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6868394 0.85 NMT2 (0.71) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6870237 0.85 NMT2 (0.70) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3471346 0.84 NMT2 (0.78) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6868285 0.84 NMT2 (0.72) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6873855 0.82 NMT2 (0.54) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3477378 0.80 NMT2 (0.78) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3472745 0.77 NMT2 (0.78) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6871813 0.76 NMT2 (1.00) NMT2NMT1ADRB2ADRB1ADRB3

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