SCHEMBL11983284

SCHEMBL11983284

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4csc(C5CC=CS5)n4)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 6/20 0.52
▸ MAOB P27338 2/20 0.48
▸ CALML3 P27482 4/20 0.45
▸ F10 P00742 4/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ SDHA P31040 1/20 0.45

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
SCHEMBL1393513 0.86 MAOA (0.56) MAOAMAOBCALML3F10LMNA
SCHEMBL12075282 0.84 MAOA (0.52) MAOAMAOBCALML3F10LMNA
SCHEMBL1393865 0.84 MAOA (0.53) MAOAMAOBCALML3F10LMNA
SCHEMBL3182557 0.82 MAOA (0.58) MAOAMAOBCALML3F10LMNA
SCHEMBL3182563 0.82 MAOA (0.58) MAOAMAOBCALML3F10LMNA
SCHEMBL1393408 0.82 MAOA (0.64) MAOAMAOBCALML3F10LMNA
SCHEMBL1393895 0.82 MAOA (0.59) MAOAMAOBCALML3F10LMNA
SCHEMBL1394066 0.81 CALML3 (0.62) MAOAMAOBCALML3F10LMNA
SCHEMBL10197432 0.81 MAOA (0.61) MAOAMAOBCALML3F10LMNA
SCHEMBL1394833 0.81 MAOA (0.60) MAOAMAOBCALML3F10LMNA

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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