SCHEMBL4743527

SCHEMBL4743527

COc1ccc(Cn2nncc2CN(Cc2ccc(-c3ccc(N4CC(C(N)C(C)=O)OC4=O)cc3F)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.36
CALML3 P27482 5/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL1034815 0.87 MAOA (0.45) MAOACALML3MAOB
SCHEMBL1034817 0.87 MAOA (0.45) MAOACALML3MAOB
SCHEMBL4756417 0.87 MAOA (0.38) MAOACALML3MAOB
SCHEMBL13151389 0.85 MAOA (0.48) MAOA
SCHEMBL3080157 0.81 MAOA (0.45) MAOACALML3MAOB
SCHEMBL17749419 0.81 CALML3 (0.41) MAOACALML3MAOB
SCHEMBL17749417 0.80 MAOA (0.48) MAOACALML3MAOB
SCHEMBL13151282 0.75 MAOA (0.47) MAOACALML3MAOB
SCHEMBL1031535 0.75 MAOA (0.46) MAOACALML3MAOB
SCHEMBL1031531 0.75 MAOA (0.46) MAOACALML3MAOB

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