SCHEMBL11983283

SCHEMBL11983283

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CCCc4c[nH]nc4-c4cccs4)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.51
▸ MAOB P27338 3/20 0.46
▸ CALML3 P27482 7/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ SDHA P31040 1/20 0.45
▸ F10 P00742 1/20 0.43

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
SCHEMBL1394296 0.91 MAOA (0.51) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL10197257 0.79 MAOA (0.65) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL10197514 0.78 MAOA (0.57) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL1393759 0.78 MAOA (0.58) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL1393865 0.78 MAOA (0.53) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL4816294 0.77 MAOA (0.65) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL10197443 0.77 MAOA (0.67) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL1393956 0.77 MAOA (0.67) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL11983108 0.76 MAOA (0.66) MAOAMAOBCALML3LMNAPTGS1
SCHEMBL14432626 0.76 MAOA (0.66) MAOAMAOBCALML3LMNAPTGS1

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-1656370-B1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB X PHARMACEUTICALS INC (US) 2012-08-15 — — EP disclosed
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