SCHEMBL8307008

SCHEMBL8307008

CC(=O)NCC1CN(c2ccc(C3CCCONC3)c(F)c2)C(=O)O1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.59
MAOB P27338 3/20 0.59
PTGS1 P23219 2/20 0.59
SDHA P31040 2/20 0.59
LMNA P02545 1/20 0.59
CALML3 P27482 1/20 0.59
F10 P00742 4/20 0.45

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
SCHEMBL8307010 1.00 MAOA (0.59) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6396680 0.86 MAOA (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6396676 0.86 MAOA (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6398570 0.86 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL27371354 0.86 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6398567 0.86 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7106580 0.85 MAOA (0.59) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7106584 0.85 MAOA (0.59) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6397304 0.85 MAOA (0.72) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6397311 0.85 MAOA (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717738-B1 SUBSTITUTED OXAZINE AND THIAZINE OXAZOLIDINONE ANTIMICROBIALS UPJOHN CO (US) 1999-10-20 EP claimed