Sugi Predict

Sugi Predict / Compounds / SCHEMBL7694953

SCHEMBL7694953

SCHEMBL7694953

CC(C)(CCNc1ccon1)OC(=O)[C@H]1CN(c2ccc(C3=CCS(=O)(=NC(=O)Cc4ccno4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 13/20 0.42
▸ CALML3 P27482 1/20 0.31

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
SCHEMBL7699299 0.90 MAOA (0.46) MAOACALML3
SCHEMBL7700753 0.85 MAOA (0.53) MAOACALML3
SCHEMBL7698870 0.79 MAOA (0.42) MAOACALML3
SCHEMBL3038619 0.71 MAOA (0.54) MAOACALML3
SCHEMBL3035215 0.70 MAOA (0.53) MAOACALML3
SCHEMBL3045106 0.69 MAOA (0.56) MAOACALML3
SCHEMBL3043182 0.68 MAOA (0.56) MAOACALML3
SCHEMBL3048066 0.68 MAOA (0.56) MAOACALML3
SCHEMBL3037799 0.67 MAOA (0.56) MAOACALML3
SCHEMBL7696844 0.65 MAOA (0.73) MAOACALML3

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 disclosed