SCHEMBL21634829

SCHEMBL21634829

O=C(NCC1CN(c2cc(F)c(N3CCC(C4CS(O)(O)C4)CC3)c(F)c2)C(=O)O1)c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.45
MAOB P27338 4/20 0.43
MAOA P21397 3/20 0.42
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
CALML3 P27482 1/20 0.42
SDHA P31040 1/20 0.42
ITGB3 P05106 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
ITGA2B P08514 1/20 0.41
PRSS3 P35030 1/20 0.41

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
SCHEMBL21634827 0.94 F10 (0.45) F10MAOBMAOALMNAPTGS1
SCHEMBL28555789 0.94 F10 (0.45) F10MAOBMAOALMNAPTGS1
SCHEMBL21634751 0.91 F10 (0.55) F10MAOBMAOALMNAPTGS1
SCHEMBL21634748 0.91 F10 (0.55) F10MAOBMAOALMNAPTGS1
SCHEMBL21635082 0.85 F10 (0.61) F10MAOB
SCHEMBL21634757 0.85 F10 (0.45) F10MAOBMAOALMNAPTGS1
SCHEMBL21634753 0.85 F10 (0.45) F10MAOBMAOALMNAPTGS1
SCHEMBL21635187 0.85 MAOA (0.47) F10MAOBMAOALMNAPTGS1
SCHEMBL21635189 0.85 MAOA (0.47) F10MAOBMAOALMNAPTGS1
SCHEMBL21634770 0.85 MAOA (0.55) F10MAOBMAOALMNAPTGS1

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
WO-2020021468-A1 SUBSTITUTED OXAZOLIDINONES FOR THE TREATMENT OF MAMMALIAN INFECTIONS CADILA HEALTHCARE LIMITED (IN) 2020-01-30 WO claimed
WO-2020021468-A1 SUBSTITUTED OXAZOLIDINONES FOR THE TREATMENT OF MAMMALIAN INFECTIONS CADILA HEALTHCARE LIMITED (IN) 2020-01-30 WO disclosed