SCHEMBL3430460

SCHEMBL3430460

C[C@]1(CNC(O)=S)CN(c2ccc(N3CCN(C(=O)n4ccnc4)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOB P27338 8/20 0.40
MAOA P21397 5/20 0.40
PTGS1 P23219 2/20 0.37
SDHA P31040 2/20 0.37
CALML3 P27482 1/20 0.37
F10 P00742 5/20 0.35
FAAH O00519 3/20 0.35
MGLL Q99685 3/20 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
SCHEMBL3394668 0.82 MAOB (0.55) LMNAMAOBMAOAPTGS1SDHA
SCHEMBL3431089 0.81 MAPT (0.43) LMNAALDH1A1MAOBMAOAPTGS1
SCHEMBL3432932 0.80 MAPT (0.42) ALDH1A1MAOBMAOA
SCHEMBL3431767 0.80 MAOB (0.39) LMNAALDH1A1MAOBMAOAPTGS1
SCHEMBL3434197 0.79 SMN1; SMN2 (0.42) LMNAALDH1A1MAOBMAOAF10
SCHEMBL3432819 0.78 DRD2 (0.43) LMNAALDH1A1MAOBMAOAPTGS1
SCHEMBL14577583 0.76 MAOB (0.67) LMNAMAOBMAOAPTGS1SDHA
SCHEMBL3394664 0.76 MAOB (0.47) LMNAALDH1A1MAOBMAOAPTGS1
SCHEMBL3434523 0.76 F10 (0.39) LMNAALDH1A1MAOBMAOAPTGS1
SCHEMBL3395588 0.76 MAOB (0.55) LMNAMAOBMAOAPTGS1SDHA

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