SCHEMBL13754669

SCHEMBL13754669

CCOc1ccccc1CNC(=O)CCc1cccc(C[C@@H](C)NC[C@H](CC(C)(C)[Si](C)(C)O)c2ccc(O)c(CO)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.51
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL14429833 0.93 ADRB2 (0.58) ADRB2
SCHEMBL13754579 0.86 ADRB2 (0.52) ADRB2
SCHEMBL4260998 0.86 ADRB2 (0.66) ADRB2
SCHEMBL4261007 0.86 ADRB2 (0.66) ADRB2
SCHEMBL4255165 0.86 ADRB2 (0.51) ADRB2LMNATP53MEN1KMT2A
SCHEMBL4255168 0.86 ADRB2 (0.51) ADRB2LMNATP53MEN1KMT2A
SCHEMBL13754558 0.86 ADRB2 (0.50) ADRB2
SCHEMBL13754624 0.84 ADRB2 (0.64) ADRB2
SCHEMBL14430026 0.84 ADRB2 (0.47) ADRB2
SCHEMBL14429290 0.83 ADRB2 (0.51) ADRB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1624868-B9 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2009-08-12 EP disclosed
EP-1624868-B1 \"(2-HYDROXY-2-(4-HYDROXY-3-HYDOXYMETHYLPHENYL)-ETHYLAMINO)- PROPYL]PHENYL DERIVATIVES AS BETA2 AGONISTS PFIZER LTD (GB) 2008-11-12 EP disclosed
US-7268147-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2007-09-11 US disclosed