SCHEMBL13367940

SCHEMBL13367940

CN1CCN(c2ccc(N3C[C@H](CN)OC3=O)cc2F)CCN1C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.51
▸ MAOA P21397 6/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ CALML3 P27482 1/20 0.51
▸ SDHA P31040 1/20 0.51
▸ F10 P00742 8/20 0.46

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
SCHEMBL10151498 0.88 MAOB (0.68) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13367775 0.88 MAOB (0.58) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13357904 0.86 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL10151499 0.86 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL28425877 0.83 MAOB (0.56) MAOBMAOALMNAPTGS1CALML3
SCHEMBL28425878 0.83 MAOB (0.56) MAOBMAOALMNAPTGS1CALML3
Hydrochloric Acid SCHEMBL28428123 0.82 MAOB (0.55) MAOBMAOALMNAPTGS1CALML3
Hydrochloric Acid SCHEMBL28428124 0.82 MAOB (0.55) MAOBMAOALMNAPTGS1CALML3
SCHEMBL78322 0.82 MAOB (0.57) MAOBMAOALMNAPTGS1CALML3
SCHEMBL1498726 0.81 MAOB (0.61) 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
EP-2181993-A1 Antimicrobial oxazolidinone derivatives Research Foundation Itsuu Laboratory (JP) 2010-05-05 — — EP disclosed
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