SCHEMBL6868614

SCHEMBL6868614

CCOC(=O)c1oc2cccc(OCCCN)c2c1C

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 11/20 0.71
NMT1 P30419 11/20 0.71
ADRB2 P07550 5/20 0.71
ADRB1 P08588 4/20 0.71
ADRB3 P13945 4/20 0.71
KDM4E B2RXH2 3/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
HSD17B10 Q99714 2/20 0.66
MAPT P10636 1/20 0.61
MEN1 O00255 1/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
EDNRA P25101 1/20 0.50
AHR P35869 1/20 0.48

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
SCHEMBL3609719 0.89 NMT2 (0.73) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6871391 0.88 NMT2 (0.71) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6867241 0.88 NMT2 (0.71) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3609306 0.87 NPC1 (0.76) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3472650 0.83 NMT2 (0.71) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6869552 0.83 NMT2 (1.00) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6871813 0.83 NMT2 (1.00) NMT2NMT1ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL3472647 0.82 NMT2 (0.70) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL10741778 0.82 NPC1 (0.73) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6863566 0.82 NMT2 (0.65) 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 5 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
CN-1333770-A Novel Bicyclic Compounds BASLIER PHARMACEUTICAL AG (CH) 2002-01-30 CN 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