SCHEMBL3661323

SCHEMBL3661323

C=C(C)C[C@@](CC(c1ccc(Br)cc1)N(CC)C(=O)OC(C)(C)C)(N[S@+]([O-])C(C)(C)C)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.31

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
SCHEMBL3768867 0.83 AAK1 (0.30)
SCHEMBL13010784 0.83 AAK1 (0.30)
SCHEMBL9962948 0.82
SCHEMBL3768869 0.81
SCHEMBL3657597 0.76 SMN1; SMN2 (0.30)
SCHEMBL3657601 0.76 SMN1; SMN2 (0.30)
SCHEMBL3660652 0.75 CYP19A1 (0.33)
SCHEMBL3200179 0.75
SCHEMBL9962945 0.73 KMT2A (0.33)
SCHEMBL20899722 0.66 FPR2 (0.32)

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-2220052-B1 CYCLIC UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-03-25 EP disclosed
EP-2220052-A1 CYCLIC UREA INHIBITORS OF 11 -HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
WO-2009061498-A1 CYCLIC UREA INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed