SCHEMBL3434523

SCHEMBL3434523

C[C@]1(CNC(O)=S)CN(c2ccc(N3CCN(C(=O)CSc4cc(Cl)ccc4Cl)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.39
MAOB P27338 4/20 0.37
MAOA P21397 3/20 0.37
MMP2 P08253 2/20 0.37
ADAMTS5 Q9UNA0 2/20 0.37
MC4R P32245 1/20 0.37
GRM5 P41594 2/20 0.37
MAPT P10636 7/20 0.36
HTT P42858 4/20 0.36
NPSR1 Q6W5P4 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP2C19 P33261 3/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35

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
SCHEMBL3431089 0.83 MAPT (0.43) F10MAOBMAOAMAPTHTT
SCHEMBL3390798 0.83 F10 (0.57) F10MAOBMAOALMNAPTGS1
SCHEMBL3434197 0.81 SMN1; SMN2 (0.42) F10MAOBMAOAMAPTHTT
SCHEMBL3432249 0.81 MAOB (0.41) F10MAOBMAOAMMP2ADAMTS5
SCHEMBL3391796 0.78 F10 (0.56) F10MAOBMAOALMNAPTGS1
SCHEMBL3390795 0.78 MAOB (0.45) F10MAOBMAOAMC4RGRM5
SCHEMBL3430460 0.76 LMNA (0.41) F10MAOBMAOAALDH1A1LMNA
SCHEMBL3390790 0.76 F10 (0.57) F10MAOBMAOALMNAPTGS1
SCHEMBL3432932 0.75 MAPT (0.42) MAOBMAOAMAPTALDH1A1SMN1; SMN2
SCHEMBL3431767 0.75 MAOB (0.39) F10MAOBMAOAMAPTHTT

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 claimed
WO-2009001192-A2 NOVEL COMPOUNDS AND THEIR USE ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-12-31 WO claimed