SCHEMBL13981113

SCHEMBL13981113

CN1CCN(c2c(F)cc(N3C[C@H](CN)OC3=O)cc2F)CCN1C(=O)CO

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 7/20 0.48
▸ F10 P00742 2/20 0.40
▸ CALML3 P27482 6/20 0.39
▸ MAOB P27338 5/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ SDHA P31040 1/20 0.38

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
SCHEMBL13357904 0.88 MAOB (0.53) MAOAF10CALML3MAOBLMNA
SCHEMBL10152132 0.87 MAOA (0.54) MAOAF10CALML3MAOBLMNA
SCHEMBL10152134 0.85 F10 (0.45) MAOAF10CALML3MAOBLMNA
SCHEMBL13981117 0.82 MAOA (0.48) MAOAF10CALML3MAOBLMNA
SCHEMBL13367951 0.79 MAOA (0.44) MAOAF10CALML3MAOBLMNA
SCHEMBL14862023 0.79 MAOA (0.50) MAOAF10CALML3MAOBLMNA
SCHEMBL14862026 0.79 MAOA (0.50) MAOAF10CALML3MAOBLMNA
SCHEMBL15827759 0.78 MAOA (0.51) MAOAF10CALML3MAOBLMNA
SCHEMBL13367775 0.78 MAOB (0.58) MAOAF10CALML3MAOBLMNA
SCHEMBL13357825 0.78 MAOA (0.53) MAOAF10CALML3MAOBLMNA

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-2009012-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING Research Foundation Itsuu Laboratory (JP) 2008-12-31 — — EP disclosed
Send feedback