Sugi Predict

Sugi Predict / Compounds / SCHEMBL23992000

SCHEMBL23992000

SCHEMBL23992000

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.41
▸ GRM2 Q14416 8/20 0.40
▸ F10 P00742 1/20 0.39
▸ MAOA P21397 4/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ SDHA P31040 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CALML3 P27482 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
SCHEMBL23991986 1.00 MAOB (0.41) MAOBGRM2F10MAOAPTGS1
SCHEMBL23992008 0.91 MAOB (0.46) MAOBF10MAOAPTGS1SDHA
SCHEMBL23991995 0.91 MAOB (0.43) MAOBF10MAOAPTGS1SDHA
SCHEMBL23991985 0.91 MAOB (0.43) MAOBF10MAOAPTGS1SDHA
SCHEMBL23992005 0.89 MAOB (0.44) MAOBF10MAOAPTGS1SDHA
SCHEMBL23992007 0.86 MAOB (0.42) MAOBF10MAOAPTGS1SDHA
SCHEMBL17032463 0.85 MAOB (0.55) MAOBGRM2F10MAOAPTGS1
SCHEMBL17039430 0.85 MAOB (0.55) MAOBGRM2F10MAOAPTGS1
SCHEMBL23716997 0.84 MAOB (0.44) MAOBGRM2F10MAOAPTGS1
SCHEMBL23716992 0.84 MAOB (0.44) MAOBGRM2F10MAOAPTGS1

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