SCHEMBL6256869

SCHEMBL6256869

O=C(CC1CC1)NC[C@H]1CN(c2ccc3c(c2)CCCc2oncc2-3)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.42
F10 P00742 11/20 0.39
MAOB P27338 3/20 0.38
CALML3 P27482 2/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
SDHA P31040 1/20 0.38

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
SCHEMBL6489857 0.91 MAOA (0.44) MAOAF10MAOBCALML3LMNA
SCHEMBL6489859 0.91 MAOA (0.44) MAOAF10MAOBCALML3LMNA
SCHEMBL6240757 0.88 MAOA (0.44) MAOAF10MAOBCALML3LMNA
SCHEMBL6240753 0.88 MAOA (0.44) MAOAF10MAOBCALML3LMNA
SCHEMBL6210396 0.88 MAOA (0.55) MAOAF10MAOBCALML3LMNA
SCHEMBL6211814 0.88 MAOA (0.44) MAOAF10MAOBCALML3LMNA
SCHEMBL6257851 0.86 MAOA (0.46) MAOAF10MAOBCALML3LMNA
SCHEMBL6214218 0.86 MAOA (0.45) MAOAF10MAOBCALML3LMNA
SCHEMBL6210943 0.86 MAOA (0.45) MAOAF10MAOBCALML3LMNA
SCHEMBL6213161 0.85 MAOA (0.46) MAOAF10MAOBCALML3LMNA

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-1594865-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 EP disclosed
WO-2004069832-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 WO disclosed