SCHEMBL4739694

SCHEMBL4739694

CC(=O)NC[C@H]1CN(c2cc(F)c(C3CCP(=O)(Oc4ccc5c(c4)CCCC5=O)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.47
MAOB P27338 3/20 0.47
PTGS1 P23219 2/20 0.47
SDHA P31040 2/20 0.47
LMNA P02545 1/20 0.47
CALML3 P27482 1/20 0.47
F10 P00742 4/20 0.39

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
SCHEMBL4739699 0.85 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4741935 0.85 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4842812 0.82 MAOA (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4738939 0.82 MAOA (0.47) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4738919 0.80 MAOA (0.54) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4741110 0.79 MAOA (0.45) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4738861 0.79 MAOA (0.45) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4743042 0.78 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL9447577 0.78 MAOA (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL9447588 0.78 MAOA (0.57) MAOAMAOBPTGS1SDHALMNA

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