SCHEMBL1033799

SCHEMBL1033799

COc1ccc(Cn2nncc2CNCc2ccc(-c3ccc(N4CC(CNC(C)=O)OC4=O)cc3F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.51
CALML3 P27482 5/20 0.46
MAOB P27338 3/20 0.46
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
SDHA P31040 1/20 0.46

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
SCHEMBL1033803 1.00 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1
Hydrochloric Acid SCHEMBL1033526 0.99 MAOA (0.50) MAOACALML3MAOBLMNAPTGS1
Hydrochloric Acid SCHEMBL1033524 0.99 MAOA (0.50) MAOACALML3MAOBLMNAPTGS1
SCHEMBL13180642 0.93 CALML3 (0.43) MAOACALML3MAOB
SCHEMBL13180778 0.93 CALML3 (0.43) MAOACALML3MAOB
SCHEMBL17749417 0.90 MAOA (0.48) MAOACALML3MAOBLMNAPTGS1
SCHEMBL13151282 0.88 MAOA (0.47) MAOACALML3MAOBLMNAPTGS1
SCHEMBL12956491 0.88 MAOA (0.47) MAOACALML3MAOBLMNAPTGS1
SCHEMBL1394220 0.87 MAOA (0.56) MAOACALML3MAOBLMNAPTGS1
SCHEMBL17749420 0.86 MAOA (0.51) 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-1904489-B1 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB X PHARMACEUTICALS INC (US) 2011-01-26 EP disclosed