SCHEMBL13174643

SCHEMBL13174643

NC[C@H]1CN(c2cc(F)c(N3CCn4c(=O)c5ccc(Nc6ccccn6)nc5n4CC3)c(F)c2)C(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.35
F10 P00742 1/20 0.33
CALML3 P27482 4/20 0.33
CYP2E1 P05181 1/20 0.32
MAOB P27338 5/20 0.31
CYP2C19 P33261 2/20 0.30
CYP2C9 P11712 1/20 0.30
LMNA P02545 1/20 0.30
PTGS1 P23219 1/20 0.30
SDHA P31040 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL13101170 0.89 MAOA (0.45) MAOACALML3MAOBLMNAPTGS1
SCHEMBL13367796 0.80 MAOA (0.41) MAOAF10CALML3MAOBCYP3A4
SCHEMBL13368025 0.76 MAOA (0.46) MAOAF10CALML3MAOBLMNA
SCHEMBL10152836 0.76 CALML3 (0.48) MAOACALML3MAOBCYP2C19CYP2C9
SCHEMBL10152840 0.76 MAOA (0.39) MAOACALML3CYP2E1MAOBCYP2C19
SCHEMBL13367993 0.74 MAOA (0.41) MAOAF10CALML3MAOBLMNA
SCHEMBL10151605 0.73 MAOA (0.51) MAOACALML3MAOBLMNAPTGS1
SCHEMBL10152835 0.73 MAOB (0.42) MAOAF10CALML3MAOBLMNA
SCHEMBL13589343 0.72 MAOA (0.36) MAOACALML3MAOBCYP2C19CYP2C9
SCHEMBL10151606 0.72 MAOA (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2233484-A2 Oxazolidinone derivatives having a 7-membered heterocyclic ring Research Foundation Itsuu Laboratory (JP) 2010-09-29 EP disclosed
EP-2208729-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation Itsuu Laboratory (JP) 2010-07-21 EP disclosed