SCHEMBL4741910

SCHEMBL4741910

COC(=O)NC[C@H]1CN(c2cc(F)c(C3CCP(=O)(c4ccccc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
MAOA P21397 5/20 0.46
LMNA P02545 1/20 0.46
PTGS1 P23219 1/20 0.46
CALML3 P27482 1/20 0.46
SDHA P31040 1/20 0.46
F10 P00742 7/20 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
SCHEMBL4741596 0.91 MAOA (0.56) MAOBMAOALMNAPTGS1CALML3
SCHEMBL4739750 0.87 MAOA (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL4743086 0.87 MAOA (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL4738861 0.85 MAOA (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL4741110 0.85 MAOA (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL4810778 0.84 MAOA (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL4743089 0.84 MAOA (0.45) MAOBMAOALMNAPTGS1CALML3
SCHEMBL4741104 0.81 MAOA (0.56) MAOBMAOALMNAPTGS1CALML3
SCHEMBL4742211 0.81 GRM2 (0.43) MAOBCALML3
SCHEMBL4842812 0.80 MAOA (0.57) MAOBMAOALMNAPTGS1CALML3

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
WO-2008090570-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD (IN) 2008-07-31 WO disclosed