SCHEMBL7701509

SCHEMBL7701509

O=C(CO)N=S1(=O)CC=C(c2c(F)cc(N3C[C@@H](COc4ccon4)OC3=O)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 14/20 0.40
CALML3 P27482 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRM2 Q14416 4/20 0.32
MAOB P27338 2/20 0.32

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
SCHEMBL7084805 0.80 F10 (0.39) MAOACALML3CYP2C9CYP2C19GRM2
SCHEMBL5743979 0.79 MAOA (0.61) MAOAMAOB
SCHEMBL7078515 0.78 GRM2 (0.38) MAOAGRM2
SCHEMBL5229382 0.78 GRM2 (0.37) MAOACALML3GRM2
SCHEMBL12674052 0.78 GRM2 (0.37) MAOACALML3GRM2
SCHEMBL12673657 0.77 MAOA (0.40) MAOACALML3GRM2MAOB
Hydrochloric Acid SCHEMBL7081708 0.77 GRM2 (0.37) MAOACALML3GRM2
Hydrochloric Acid SCHEMBL7081703 0.77 GRM2 (0.37) MAOACALML3GRM2
SCHEMBL7079423 0.77 CALML3 (0.34) MAOACALML3CYP2C9CYP2C19GRM2
SCHEMBL5945108 0.76 MAOA (0.43) MAOAGRM2MAOB

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-2002081469-A1 OXAZOLIDINONE-SULFOXIMINES AND -SULFILIMINES AS ANTIBIOTICS ASTRAZENECA AB (SE) 2002-10-17 WO claimed