SCHEMBL6029020

SCHEMBL6029020

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

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.51
CALML3 P27482 7/20 0.50
MAOB P27338 2/20 0.50
LMNA P02545 1/20 0.50
PTGS1 P23219 1/20 0.50
SDHA P31040 1/20 0.50
F10 P00742 1/20 0.42

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
SCHEMBL3182438 1.00 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1
SCHEMBL3182433 1.00 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1
SCHEMBL10197431 0.94 MAOA (0.53) MAOACALML3MAOBLMNAPTGS1
SCHEMBL18403019 0.91 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1
SCHEMBL13180769 0.91 MAOA (0.54) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6023427 0.91 CALML3 (0.55) MAOACALML3MAOB
SCHEMBL6023424 0.91 CALML3 (0.55) MAOACALML3MAOB
SCHEMBL13528060 0.90 CALML3 (0.48) MAOACALML3MAOB
SCHEMBL10197647 0.90 MAOA (0.53) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6023800 0.87 MAOA (0.57) 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-1713785-A1 HALOGENATED BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Rib-X Pharmaceuticals, Inc. (US) 2006-10-25 EP disclosed
WO-2005061468-A1 HALOGENATED BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2005-07-07 WO disclosed