SCHEMBL13357904

SCHEMBL13357904

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.53
▸ MAOA P21397 6/20 0.53
▸ LMNA P02545 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ CALML3 P27482 1/20 0.53
▸ SDHA P31040 1/20 0.53
▸ F10 P00742 8/20 0.53

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
SCHEMBL13367775 0.91 MAOB (0.58) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13981113 0.88 MAOA (0.48) MAOBMAOALMNAPTGS1CALML3
SCHEMBL10151854 0.88 MAOB (0.71) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13367940 0.86 MAOB (0.51) MAOBMAOALMNAPTGS1CALML3
SCHEMBL10151857 0.85 MAOB (0.59) MAOBMAOALMNAPTGS1CALML3
SCHEMBL78322 0.84 MAOB (0.57) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13367952 0.83 MAOB (0.55) MAOBMAOALMNAPTGS1CALML3
SCHEMBL13367930 0.82 MAOB (0.53) MAOBMAOALMNAPTGS1CALML3
SCHEMBL10151505 0.81 MAOB (0.76) 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-2181994-A1 Antimicrobial compounds Research Foundation Itsuu Laboratory (JP) 2010-05-05 — — EP disclosed
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