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Sugi Predict / Compounds / SCHEMBL14577702

SCHEMBL14577702

SCHEMBL14577702

O=C(CCCCC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 12/20 0.79
▸ MAOA P21397 5/20 0.79
▸ PTGS1 P23219 2/20 0.79
▸ SDHA P31040 2/20 0.79
▸ LMNA P02545 1/20 0.79
▸ CALML3 P27482 1/20 0.79
▸ F10 P00742 7/20 0.69

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
SCHEMBL14577584 0.96 MAOB (0.74) MAOBMAOAPTGS1SDHALMNA
SCHEMBL15788709 0.94 MAOB (0.75) MAOBMAOAPTGS1SDHALMNA
SCHEMBL14490007 0.93 MAOB (0.78) MAOBMAOAPTGS1SDHALMNA
SCHEMBL18652708 0.93 MAOB (0.74) MAOBMAOAPTGS1SDHALMNA
SCHEMBL14885370 0.91 MAOB (0.72) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8304664 0.91 MAOB (0.80) MAOBMAOAPTGS1SDHALMNA
SCHEMBL8304658 0.91 MAOB (0.80) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7262380 0.90 MAOB (0.79) MAOBMAOAPTGS1SDHALMNA
SCHEMBL7256761 0.90 MAOB (0.79) MAOBMAOAPTGS1SDHALMNA
SCHEMBL14489967 0.90 MAOB (0.79) MAOBMAOAPTGS1SDHALMNA

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
US-7179794-B2 Multivalent macrolide antibiotics THERAVANCE, INC. (US) 2007-02-20 — — US disclosed
US-7179794-B2 Multivalent macrolide antibiotics THERAVANCE, INC. (US) 2007-02-20 — — US disclosed