SCHEMBL14780780

SCHEMBL14780780

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cn(C)nn4)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.56
CALML3 P27482 5/20 0.51
MAOB P27338 3/20 0.51
LMNA P02545 1/20 0.51
PTGS1 P23219 1/20 0.51
SDHA P31040 1/20 0.51

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
SCHEMBL12956260 0.87 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1
SCHEMBL17749420 0.87 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1393690 0.87 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3185536 0.87 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1394438 0.87 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
Hydrochloric Acid SCHEMBL1034926 0.87 MAOA (0.50) MAOACALML3MAOBLMNAPTGS1
Hydrochloric Acid SCHEMBL1034923 0.87 MAOA (0.50) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1394066 0.86 CALML3 (0.62) MAOACALML3MAOBLMNAPTGS1
Radezolid SCHEMBL1036412 0.86 MAOA (0.56) MAOACALML3MAOBLMNAPTGS1
Radezolid SCHEMBL1036409 0.86 MAOA (0.56) 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
US-8399660-B2 Process for the synthesis of triazoles RIB-X PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed