SCHEMBL22698341

SCHEMBL22698341

CC(=O)NCC1CN(c2cc(F)c(N3CC4CCSCCC4C3)c(F)c2)C(=O)O1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.65
MAOB P27338 3/20 0.65
PTGS1 P23219 2/20 0.55
SDHA P31040 2/20 0.55
LMNA P02545 1/20 0.55
CALML3 P27482 1/20 0.55
F10 P00742 5/20 0.48

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
SCHEMBL22698343 1.00 MAOA (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6266506 0.89 MAOA (0.77) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6233737 0.89 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
Methyl Alcohol SCHEMBL23833819 0.88 MAOA (0.75) MAOAMAOBPTGS1SDHALMNA
SCHEMBL22698503 0.87 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL18410516 0.87 MAOA (0.68) MAOAMAOBPTGS1SDHALMNA
SCHEMBL24169730 0.87 MAOA (0.68) MAOAMAOBPTGS1SDHALMNA
SCHEMBL22698339 0.87 MAOA (0.54) MAOAMAOBPTGS1SDHALMNA
SCHEMBL22689508 0.87 MAOA (0.54) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6382854 0.86 MAOA (0.69) 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-2020234636-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF MAMMALIAN INFECTIONS CADILA HEALTHCARE LIMITED (IN) 2020-11-26 WO disclosed