SCHEMBL6614875

SCHEMBL6614875

O=C(O)C1CN(c2ccc(N3CCSCC3)cc2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.44
MAOB P27338 1/20 0.44
F10 P00742 10/20 0.43
F2 P00734 2/20 0.43
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
GRM2 Q14416 1/20 0.39
AKR1C3 P42330 1/20 0.39
HTR6 P50406 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
SCHEMBL3039286 1.00 MAOA (0.44) MAOAMAOBF10F2ALDH1A1
SCHEMBL3038229 0.89 MAOA (0.53) MAOAMAOBF10F2ALDH1A1
SCHEMBL6616635 0.83 MAOB (0.66) MAOAMAOBF10
SCHEMBL5763602 0.83 MAOB (0.66) MAOAMAOBF10
SCHEMBL6040255 0.82 F10 (0.45) MAOAMAOBF10F2GRM2
SCHEMBL5762074 0.82 F10 (0.45) MAOAMAOBF10F2GRM2
SCHEMBL5765886 0.81 MAOA (0.63) MAOAMAOBF10
SCHEMBL7847879 0.80 MAOA (0.53) MAOAMAOBF10F2GRM2
SCHEMBL7847873 0.80 MAOA (0.53) MAOAMAOBF10F2GRM2
SCHEMBL4670666 0.79 GRM2 (0.54) F10GRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478629-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATIVES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
EP-1451164-A2 AMIDE DERIVATIVES HAVING IMPROVED SOLUBILITY PHARMACIA & UPJOHN COMPANY (US) 2004-09-01 EP disclosed
WO-2003072553-A1 N-ARYL-2-OXAZOLIDINONE-5-CARBOXAMIDES AND THEIR DERIVATES AND THEIR USE AS ANTIBACTERIALS PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 WO disclosed
WO-2003006440-A2 AMIDE-CONTAINING COMPOUND HAVING IMPROVED SOLUBILITY AND METHOD OF IMPROVING THE SOLUBILITY OF AN AMIDE-CONTAINING COMPOUND PHARMACIA & UPJOHN COMPANY (US) 2003-01-23 WO disclosed