SCHEMBL7837804

SCHEMBL7837804

O=C(C1C=C(c2ccc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CCN1)[C@H](O)CP(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 15/20 0.38
CALML3 P27482 4/20 0.38
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7459673 0.85 MAOA (0.35) MAOACALML3CYP3A4CYP2C19
SCHEMBL7081472 0.82 MAOA (0.39) MAOACALML3CYP2C19
SCHEMBL7462586 0.81 MAOA (0.32) MAOACALML3
SCHEMBL7082771 0.78 MAOA (0.44) MAOACALML3
Hydrochloric Acid SCHEMBL7084340 0.78 MAOA (0.44) MAOACALML3
Hydrochloric Acid SCHEMBL7084342 0.78 MAOA (0.44) MAOACALML3
SCHEMBL7837740 0.78 CALML3 (0.35) MAOACALML3CYP2C19
SCHEMBL7847439 0.76 MAOA (0.56) MAOACALML3
SCHEMBL7077025 0.75 MAOA (0.32) MAOACALML3
SCHEMBL7077029 0.75 CALML3 (0.41) MAOACALML3CYP3A4CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082323-A2 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca UK Limited (GB) 2001-03-14 EP claimed
WO-1999064417-A2 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 1999-12-16 WO claimed
EP-1082323-A2 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca UK Limited (GB) 2001-03-14 EP disclosed
WO-1999064417-A2 OXAZOLIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 1999-12-16 WO disclosed