SCHEMBL22689486

SCHEMBL22689486

CC(=O)NC[C@H]1CN(c2ccc(N3CC4CC[S+]([O-])CCC4C3)c(F)c2)C(=O)O1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.68
MAOB P27338 5/20 0.68
PTGS1 P23219 2/20 0.68
SDHA P31040 2/20 0.68
LMNA P02545 1/20 0.68
CALML3 P27482 1/20 0.68
F10 P00742 4/20 0.51

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
SCHEMBL22689494 0.90 MAOB (0.70) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6058550 0.90 MAOA (0.78) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5221998 0.90 MAOA (0.78) MAOAMAOBPTGS1SDHALMNA
SCHEMBL18408751 0.88 MAOA (0.75) MAOAMAOBPTGS1SDHALMNA
SCHEMBL22698339 0.88 MAOA (0.54) MAOAMAOBPTGS1SDHALMNA
SCHEMBL22689508 0.88 MAOA (0.54) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6209079 0.88 MAOA (0.77) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6990521 0.87 MAOA (0.79) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6990519 0.87 MAOA (0.79) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7103707 0.86 MAOA (0.72) 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 2 patents. 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 claimed
WO-2020234636-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF MAMMALIAN INFECTIONS CADILA HEALTHCARE LIMITED (IN) 2020-11-26 WO disclosed