SCHEMBL4649596

SCHEMBL4649596

COc1ccc(Cn2cc(CN(Cc3ccc(-c4ccc(N5CC(CNC(C)=O)OC5=O)cc4F)cc3)C(=O)O)nn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.49
CALML3 P27482 4/20 0.44
MAOB P27338 3/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
SDHA P31040 1/20 0.44

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
SCHEMBL1031531 0.93 MAOA (0.46) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1031535 0.93 MAOA (0.46) MAOACALML3MAOBLMNAPTGS1
SCHEMBL13151284 0.91 MAOA (0.48) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1393263 0.89 MAOA (0.55) MAOACALML3MAOBLMNAPTGS1
SCHEMBL17749420 0.89 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1
SCHEMBL12956260 0.89 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1
Hydrochloric Acid SCHEMBL1034926 0.88 MAOA (0.50) MAOACALML3MAOBLMNAPTGS1
Hydrochloric Acid SCHEMBL1034923 0.88 MAOA (0.50) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1393974 0.87 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL17749417 0.86 MAOA (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904489-A2 PROCESS FOR THE SYNTHESIS OF TRIAZOLES Rib-X Pharmaceuticals, Inc. (US) 2008-04-02 EP disclosed
WO-2006133397-A2 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB-X PHARMACEUTICALS, INC. (US) 2006-12-14 WO disclosed