SCHEMBL6616635

SCHEMBL6616635

O=C(O)C1CN(c2ccc(N3CCSCC3)c(F)c2)C(=O)O1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.66
MAOA P21397 6/20 0.66
F10 P00742 8/20 0.59
LMNA P02545 1/20 0.51
PTGS1 P23219 1/20 0.51
CALML3 P27482 1/20 0.51
SDHA P31040 1/20 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
SCHEMBL5763602 1.00 MAOB (0.66) MAOBMAOAF10LMNAPTGS1
SCHEMBL6040297 0.91 MAOB (0.66) MAOBMAOAF10LMNAPTGS1
SCHEMBL3033109 0.91 MAOB (0.66) MAOBMAOAF10LMNAPTGS1
SCHEMBL3038562 0.88 MAOB (0.65) MAOBMAOAF10LMNAPTGS1
SCHEMBL4245418 0.87 MAOB (0.61) MAOBMAOAF10LMNAPTGS1
SCHEMBL5765886 0.85 MAOA (0.63) MAOBMAOAF10LMNAPTGS1
SCHEMBL5512577 0.84 MAOB (0.62) MAOBMAOAF10LMNAPTGS1
SCHEMBL4543204 0.84 MAOB (0.62) MAOBMAOAF10LMNAPTGS1
SCHEMBL3039286 0.83 MAOA (0.44) MAOBMAOAF10
SCHEMBL6614875 0.83 MAOA (0.44) MAOBMAOAF10

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