SCHEMBL4756417

SCHEMBL4756417

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

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.38
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.35
CALML3 P27482 3/20 0.35
GRM2 Q14416 1/20 0.34

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
SCHEMBL12956266 0.87 MAOA (0.43) MAOAMAOBCALML3
SCHEMBL1031531 0.87 MAOA (0.46) MAOAMAOBCALML3
SCHEMBL1031535 0.87 MAOA (0.46) MAOAMAOBCALML3
SCHEMBL4743527 0.87 MAOA (0.36) MAOAMAOBCALML3
SCHEMBL13180781 0.86 MAOA (0.40) MAOAMAOBCALML3
SCHEMBL13180818 0.86 MAOA (0.40) MAOAMAOBCALML3
SCHEMBL1035631 0.85 MAOA (0.46) MAOAMAOBCALML3
SCHEMBL13180816 0.85 MAOA (0.55) MAOA
SCHEMBL3080157 0.83 MAOA (0.45) MAOAMAOBCALML3
SCHEMBL17749419 0.81 CALML3 (0.41) MAOAMAOBCALML3

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