SCHEMBL7087879

SCHEMBL7087879

CN[C@@H]1CN(c2ccc(N3CCc4ccccc4C3)c(F)c2)C(=O)O1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.45
MAOA P21397 6/20 0.45
LMNA P02545 2/20 0.45
PTGS1 P23219 1/20 0.45
CALML3 P27482 1/20 0.45
SDHA P31040 1/20 0.45
F10 P00742 3/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNH2 Q12809 2/20 0.40
HTR6 P50406 1/20 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
SCHEMBL28110355 0.83 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL27535189 0.83 CALML3 (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL27535197 0.81 MAOA (0.71) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6919953 0.81 MAOB (0.65) MAOBMAOALMNAPTGS1CALML3
SCHEMBL5114899 0.81 MAOB (0.65) MAOBMAOALMNAPTGS1CALML3
Hydrochloric Acid SCHEMBL2591252 0.80 MAOB (0.64) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7087762 0.80 HTR6 (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL6988135 0.80 HTR6 (0.47) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7091406 0.79 MAOB (0.55) MAOBMAOALMNAPTGS1CALML3
SCHEMBL7091009 0.79 MAOB (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003106454-A1 1H-ISOQUINOLINE-OXAZOLIDINONE DERIVATIES AND THEIR USE AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2003-12-24 WO disclosed