SCHEMBL4742741

SCHEMBL4742741

C=C(C)COP1(=O)CCN(c2c(F)cc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.52
MAOB P27338 3/20 0.52
PTGS1 P23219 2/20 0.52
SDHA P31040 2/20 0.52
LMNA P02545 1/20 0.52
CALML3 P27482 1/20 0.52
F10 P00742 2/20 0.40
TOP2B Q02880 1/20 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
SCHEMBL4741099 1.00 MAOA (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4785239 0.86 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4783830 0.84 MAOA (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4741879 0.83 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4787734 0.83 MAOA (0.49) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4786954 0.82 MAOA (0.45) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4787860 0.82 MAOA (0.48) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4743722 0.81 MAOA (0.51) MAOAMAOBPTGS1SDHALMNA
SCHEMBL14861393 0.81 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL14861395 0.81 MAOA (0.60) 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 claimed