SCHEMBL5310072

SCHEMBL5310072

CC(=O)NCC1CN(c2ccc(-n3cnc(C(=O)O)c3)c(F)c2)C(=O)O1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.65
MAOB P27338 4/20 0.65
PTGS1 P23219 2/20 0.65
SDHA P31040 2/20 0.65
LMNA P02545 1/20 0.65
CALML3 P27482 1/20 0.65
F10 P00742 2/20 0.49

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
SCHEMBL7648919 1.00 MAOA (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7840324 0.91 MAOA (0.63) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7840323 0.91 MAOA (0.63) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7831540 0.89 MAOA (0.67) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7831535 0.89 MAOA (0.67) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4017727 0.89 MAOA (0.66) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7842942 0.88 MAOA (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3755880 0.88 MAOA (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7842939 0.88 MAOA (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3754635 0.88 MAOA (0.65) MAOAMAOBPTGS1SDHALMNA

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
WO-2007024744-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS, INC. (US) 2007-03-01 WO claimed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
EP-1034175-A1 SUBSTITUTED PHENYLOXAZOLIDINONES AND THEIR USE AS ANTIBIOTICS AstraZeneca UK Limited (GB) 2000-09-13 EP disclosed
WO-1999028317-A1 SUBSTITUTED PHENYLOXAZOLIDINONES AND THEIR USE AS ANTIBIOTICS ASTRAZENECA UK LIMITED (GB) 1999-06-10 WO disclosed