SCHEMBL6620549

SCHEMBL6620549

O=C(O)[C@H]1CN(c2ccc([C@H]3CCS[C@@H](O)C3)cc2)C(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.40
MAOA P21397 1/20 0.38
FADS1 O60427 1/20 0.38
F2 P00734 3/20 0.35
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
GRM2 Q14416 1/20 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
SCHEMBL6617376 1.00 F10 (0.40) F10MAOAFADS1F2ITGB3
SCHEMBL6646055 1.00 F10 (0.40) F10MAOAFADS1F2ITGB3
SCHEMBL6617609 0.91 MAOA (0.47) F10MAOAFADS1F2
SCHEMBL6040255 0.84 F10 (0.45) F10MAOAFADS1F2GRM2
SCHEMBL5762074 0.84 F10 (0.45) F10MAOAFADS1F2GRM2
SCHEMBL6616513 0.83 MAOA (0.57) F10MAOAFADS1
SCHEMBL6617209 0.83 MAOA (0.57) F10MAOAFADS1
SCHEMBL5221394 0.78 F10 (0.52) F10MAOAF2
SCHEMBL5766169 0.75 F10 (0.41) F10MAOAFADS1F2GRM2
SCHEMBL5763275 0.75 F10 (0.41) F10MAOAFADS1F2GRM2

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
EP-1451164-A2 AMIDE DERIVATIVES HAVING IMPROVED SOLUBILITY PHARMACIA & UPJOHN COMPANY (US) 2004-09-01 EP 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