SCHEMBL6870463

SCHEMBL6870463

CCOC(=O)Oc1oc2cccc(OCCCNC3CCc4ccccc43)c2c1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 9/20 0.44
NMT1 P30419 9/20 0.44
ADRB2 P07550 3/20 0.44
ADRB1 P08588 3/20 0.44
ADRB3 P13945 3/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.38
CD274 Q9NZQ7 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NTRK1 P04629 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 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
SCHEMBL3474351 0.86 NMT2 (0.61) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6870343 0.79 NMT2 (0.46) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6870905 0.78 MAOB (0.49) NMT2NMT1MEN1KMT2ALMNA
SCHEMBL6863415 0.77 NMT2 (0.72) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6870237 0.76 NMT2 (0.70) NMT2NMT1ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL6869324 0.75 NMT2 (0.49) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6868394 0.74 NMT2 (0.71) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6868285 0.74 NMT2 (0.72) NMT2NMT1ADRB2ADRB1ADRB3
SCHEMBL6870953 0.73 NMT2 (0.52) NMT2NMT1
SCHEMBL6864133 0.71 NMT2 (0.59) 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