SCHEMBL6863675

SCHEMBL6863675

Cc1c([C]=O)oc2cccc(OCCCNC(=N)N)c12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 16/20 0.47
NMT1 P30419 16/20 0.47
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.37
EDNRA P25101 1/20 0.37

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
SCHEMBL3472650 0.80 NMT2 (0.71) NMT2NMT1ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL3472647 0.79 NMT2 (0.70) NMT2NMT1ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL6869324 0.77 NMT2 (0.49) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3473958 0.74 NMT2 (0.52) NMT2NMT1
SCHEMBL7042865 0.70 NMT2 (0.77) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3918141 0.68 KCNA3 (0.60)
Hydrochloric Acid SCHEMBL5302289 0.67 ABCG2 (0.36) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL3470200 0.66 NMT2 (0.36) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL7448429 0.65 MTNR1A (0.67)
Hydrochloric Acid SCHEMBL6872183 0.65 NMT2 (0.77) 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