SCHEMBL6213161

SCHEMBL6213161

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.46
MAOB P27338 3/20 0.43
CALML3 P27482 2/20 0.43
PTGS1 P23219 2/20 0.43
SDHA P31040 2/20 0.43
LMNA P02545 1/20 0.43
F10 P00742 7/20 0.40

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
SCHEMBL6210396 0.92 MAOA (0.55) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6483678 0.90 MAOA (0.48) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6483672 0.90 MAOA (0.48) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6257851 0.89 MAOA (0.46) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6210943 0.88 MAOA (0.45) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6210558 0.86 MAOA (0.46) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6214218 0.86 MAOA (0.45) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6213354 0.86 F10 (0.44) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6256869 0.85 MAOA (0.42) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL6210041 0.85 MAOA (0.53) MAOAMAOBCALML3PTGS1SDHA

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