SCHEMBL3436868

SCHEMBL3436868

CN(CC1CN(c2ccc(N3CCN(C(=O)C=Cc4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1)C(O)=S

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.49
MAOA P21397 4/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.43
PTGS1 P23219 1/20 0.43
CALML3 P27482 1/20 0.43
SDHA P31040 1/20 0.43
F10 P00742 7/20 0.41
SLC2A1 P11166 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
SCHEMBL3393559 0.87 MAOB (0.51) MAOBMAOAKDM4EMAPTLMNA
SCHEMBL3396930 0.84 KDM4E (0.45) MAOBMAOAKDM4EMAPTLMNA
SCHEMBL13101197 0.78 MAOB (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7950993 0.76 MAOB (0.65) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7950997 0.76 MAOB (0.65) MAOBMAOALMNAPTGS1CALML3
SCHEMBL3394870 0.75 MAOB (0.45) MAOBMAOAMAPTLMNAPTGS1
SCHEMBL5950151 0.75 MAOB (0.63) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5949838 0.75 MAOB (0.65) MAOBMAOALMNAPTGS1CALML3
SCHEMBL14448271 0.75 MAOB (0.65) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5949842 0.75 MAOB (0.65) MAOBMAOALMNAPTGS1CALML3

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-2170874-A2 NOVEL COMPOUNDS AND THEIR USE Orchid Research Laboratories Limited (IN) 2010-04-07 EP disclosed
WO-2009001192-A2 NOVEL COMPOUNDS AND THEIR USE ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-12-31 WO disclosed