SCHEMBL12075705

SCHEMBL12075705

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CN)cc3)c(F)c2)COO1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.44
CALML3 P27482 7/20 0.41
MAOB P27338 2/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
SDHA P31040 1/20 0.41
BACE1 P56817 2/20 0.38

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
SCHEMBL16562190 0.91 MAOA (0.45) MAOACALML3MAOBLMNAPTGS1
SCHEMBL16562185 0.83 MAOA (0.47) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3088861 0.82 MAOA (0.65) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1394150 0.82 MAOA (0.65) MAOACALML3MAOBLMNAPTGS1
SCHEMBL16562187 0.77 MAOA (0.42) MAOACALML3MAOBLMNAPTGS1
SCHEMBL16562189 0.77 MAOA (0.42) MAOACALML3MAOBLMNAPTGS1
SCHEMBL16559601 0.76 CALML3 (0.43) MAOACALML3MAOBBACE1
SCHEMBL4163852 0.75 CALML3 (0.64) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4163850 0.75 CALML3 (0.64) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1393956 0.74 MAOA (0.67) MAOACALML3MAOBLMNAPTGS1

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-2492264-A2 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same Rib-X Pharmaceuticals, Inc. (US) 2012-08-29 EP disclosed