SCHEMBL3471346

SCHEMBL3471346

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

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 13/20 0.78
NMT1 P30419 13/20 0.78
ADRB2 P07550 5/20 0.78
ADRB1 P08588 4/20 0.78
ADRB3 P13945 4/20 0.78
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3477378 0.96 NMT2 (0.78) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3472745 0.90 NMT2 (0.78) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6868627 0.89 NMT2 (0.62) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6871813 0.88 NMT2 (1.00) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3471593 0.85 NMT2 (1.00) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6870477 0.84 NMT2 (0.61) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6874240 0.84 NMT2 (1.00) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3477347 0.84 NMT2 (1.00) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3470617 0.81 NMT2 (0.64) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6871630 0.80 NMT2 (0.61) 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 9 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 claimed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US claimed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 EP claimed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 WO claimed
WO-2010134939-A2 MAMMALIAN GENES INVOLVED IN INFECTION Zirus, Inc. (US) 2010-11-25 WO disclosed
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