SCHEMBL23992014

SCHEMBL23992014

CN/N=C\Nc1ccc(N2C[C@H](CN(C(C)=O)P(=O)(O)OC(C)=O)OC2=O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.44
MAOB P27338 6/20 0.43
MAOA P21397 6/20 0.41
PTGS1 P23219 2/20 0.41
SDHA P31040 2/20 0.41
LMNA P02545 1/20 0.41
CALML3 P27482 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL23992025 1.00 F10 (0.44) F10MAOBMAOAPTGS1SDHA
SCHEMBL23992002 0.93 MAOB (0.43) F10MAOBMAOAPTGS1SDHA
SCHEMBL23992005 0.85 MAOB (0.44) F10MAOBMAOAPTGS1SDHA
SCHEMBL17034012 0.81 MAOB (0.62) F10MAOBMAOAPTGS1SDHA
SCHEMBL13428600 0.80 CALML3 (0.54) F10MAOBMAOAPTGS1SDHA
SCHEMBL23992008 0.79 MAOB (0.46) F10MAOBMAOAPTGS1SDHA
SCHEMBL17034022 0.78 MAOA (0.49) F10MAOBMAOAPTGS1SDHA
SCHEMBL23992007 0.78 MAOB (0.42) F10MAOBMAOAPTGS1SDHA
SCHEMBL23992001 0.78 MAOA (0.65) F10MAOBMAOAPTGS1SDHA
SCHEMBL17034020 0.78 MAOA (0.65) F10MAOBMAOAPTGS1SDHA

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-3107923-B1 WATER-SOLUBLE O-CARBONYL PHOSPHORAMIDATE PRODRUGS FOR THERAPEUTIC ADMINISTRATION SHANGHAI MICURX PHARMACEUTICAL CO LTD (CN) 2021-11-03 EP disclosed