SCHEMBL6827508

SCHEMBL6827508

CC(=O)NCC1CN(c2ccc(N3CCN(Cc4cnccn4)CC3)nc2)C(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.47
MAOA P21397 5/20 0.45
MAOB P27338 2/20 0.45
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
CALML3 P27482 1/20 0.45
SDHA P31040 1/20 0.45
ABCB11 O95342 1/20 0.44

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
SCHEMBL6920960 0.92 F10 (0.45) F10MAOAMAOBLMNAPTGS1
SCHEMBL6824725 0.90 F10 (0.46) F10
SCHEMBL6828157 0.89 F10 (0.44) F10
SCHEMBL6258702 0.85 F10 (0.47) F10MAOAMAOBLMNAPTGS1
SCHEMBL6254766 0.84 F10 (0.47) F10MAOAMAOBLMNAPTGS1
SCHEMBL6920611 0.82 F10 (0.49) F10MAOAMAOBLMNAPTGS1
SCHEMBL6920614 0.82 F10 (0.49) F10MAOAMAOBLMNAPTGS1
SCHEMBL6921345 0.82 MAOA (0.53) F10MAOAMAOBLMNAPTGS1
SCHEMBL8576557 0.82 MAOA (0.53) F10MAOAMAOBLMNAPTGS1
SCHEMBL30536626 0.82 MAOA (0.65) F10MAOAMAOBLMNAPTGS1

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
WO-2004009587-A1 OXAZOLIDINONE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-01-29 WO claimed
WO-2004009587-A1 OXAZOLIDINONE DERIVATIVES AS ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2004-01-29 WO disclosed