SCHEMBL3621767

SCHEMBL3621767

COc1ccc(C[C@H](C)NCCc2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.84
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
SLC2A1 P11166 2/20 0.69
HTT P42858 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68

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
SCHEMBL4019777 1.00 SIGMAR1 (0.84) SIGMAR1MEN1KMT2ASLC2A1HTT
SCHEMBL19505478 1.00 SIGMAR1 (0.84) SIGMAR1MEN1KMT2ASLC2A1HTT
Hydrochloric Acid SCHEMBL28449997 0.98 SIGMAR1 (0.82) SIGMAR1MEN1KMT2ASLC2A1HTT
Hydrochloric Acid SCHEMBL28835520 0.98 SIGMAR1 (0.82) SIGMAR1MEN1KMT2ASLC2A1HTT
Hydrochloric Acid SCHEMBL4015078 0.98 SIGMAR1 (0.82) SIGMAR1MEN1KMT2ASLC2A1HTT
SCHEMBL8091471 0.91 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ASLC2A1
SCHEMBL22043276 0.91 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ASLC2A1
SCHEMBL22043526 0.91 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ASLC2A1
SCHEMBL21985949 0.91 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ASLC2A1
SCHEMBL19469330 0.91 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ASLC2A1

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
WO-2010128355-A2 IMPROVED PROCESSES FOR PREPARING SUBSTANTIALLY PURE ARFORMOTEROL AND ITS INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2010-11-11 WO disclosed
EP-1446380-A1 FORMOTEROL TARTRATE PROCESS AND POLYMORPH Sepracor Inc. (US) 2004-08-18 EP disclosed
WO-2003042165-A1 FORMOTEROL TARTRATE PROCESS AND POLYMORPH SEPRACOR INC. (US) 2003-05-22 WO disclosed
EP-1093450-A1 DESFORMOTEROL AND PROCESS FOR ITS PREPARATION Sepracor Inc. (US) 2001-04-25 EP disclosed
EP-1082293-A2 FORMOTEROL POLYMORPHS Sepracor Inc. (US) 2001-03-14 EP disclosed
WO-2000021487-A2 FORMOTEROL POLYMORPHS SEPRACOR INC. (US) 2000-04-20 WO disclosed
WO-1999067198-A1 DESFORMOTEROL AND PROCESS FOR ITS PREPARATION SEPRACOR INC. (US) 1999-12-29 WO disclosed
EP-0390762-B1 New bronchospasmolytic compounds and process for their preparation DRACO AB (SE) 1994-01-19 EP disclosed
EP-0390762-A1 New bronchospasmolytic compounds and process for their preparation Aktiebolaget Draco (SE) 1990-10-03 EP disclosed