SCHEMBL7261328

SCHEMBL7261328

COCC(=O)N1CCN(c2ccc(N3CC(CNC(=O)[C@@H](N)Cc4c[nH]c5ccccc45)OC3=O)cc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.50
▸ MAOA P21397 4/20 0.50
▸ F10 P00742 8/20 0.49
▸ PTGS1 P23219 2/20 0.49
▸ SDHA P31040 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CALML3 P27482 1/20 0.49
▸ SOS1 Q07889 1/20 0.41

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
SCHEMBL7261347 1.00 MAOB (0.50) MAOBMAOAF10PTGS1SDHA
SCHEMBL7260928 1.00 MAOB (0.50) MAOBMAOAF10PTGS1SDHA
SCHEMBL7256959 1.00 MAOB (0.50) MAOBMAOAF10PTGS1SDHA
SCHEMBL7257657 0.88 F10 (0.55) MAOBMAOAF10PTGS1SDHA
SCHEMBL7260845 0.88 MAOB (0.62) MAOBMAOAF10PTGS1SDHA
SCHEMBL7257666 0.88 F10 (0.55) MAOBMAOAF10PTGS1SDHA
SCHEMBL7257659 0.88 F10 (0.55) MAOBMAOAF10PTGS1SDHA
SCHEMBL7257664 0.88 F10 (0.55) MAOBMAOAF10PTGS1SDHA
SCHEMBL7260849 0.88 MAOB (0.62) MAOBMAOAF10PTGS1SDHA
SCHEMBL7260883 0.88 MAOB (0.62) MAOBMAOAF10PTGS1SDHA

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
WO-2003093247-A2 ANTIBACTERIAL AGENTS ORCHID CHEMICALS & PHARMACEUTICALS LTD (IN) 2003-11-13 — — WO claimed
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