SCHEMBL23991995

SCHEMBL23991995

CCOC(=O)CCC(=O)OP(=O)(O)N(C[C@H]1CN(c2ccc(NCCO)c(F)c2)C(=O)O1)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.43
F10 P00742 2/20 0.39
MAOA P21397 5/20 0.38
CALML3 P27482 4/20 0.38
PTGS1 P23219 2/20 0.38
SDHA P31040 2/20 0.38
LMNA P02545 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
SCHEMBL23991985 1.00 MAOB (0.43) MAOBF10MAOACALML3PTGS1
SCHEMBL23992008 0.92 MAOB (0.46) MAOBF10MAOACALML3PTGS1
SCHEMBL23991986 0.91 MAOB (0.41) MAOBF10MAOACALML3PTGS1
SCHEMBL23992000 0.91 MAOB (0.41) MAOBF10MAOACALML3PTGS1
SCHEMBL23992005 0.89 MAOB (0.44) MAOBF10MAOACALML3PTGS1
SCHEMBL23992007 0.87 MAOB (0.42) MAOBF10MAOACALML3PTGS1
SCHEMBL17032469 0.85 MAOB (0.55) MAOBF10MAOACALML3PTGS1
SCHEMBL17039438 0.85 MAOB (0.55) MAOBF10MAOACALML3PTGS1
SCHEMBL23992002 0.76 MAOB (0.43) MAOBF10MAOACALML3PTGS1
SCHEMBL17039426 0.76 MAOB (0.61) MAOBF10MAOACALML3PTGS1

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