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Sugi Predict / Compounds / SCHEMBL6259932

SCHEMBL6259932

SCHEMBL6259932

CC(=O)NC[C@H]1CN(c2cc3c(cc2F)-c2cnoc2CCC3)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.49
▸ MAOB P27338 3/20 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
▸ F10 P00742 4/20 0.38

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
SCHEMBL6494554 0.89 MAOA (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6494558 0.89 MAOA (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6210396 0.85 MAOA (0.55) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6211395 0.85 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6210041 0.85 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6213190 0.84 MAOA (0.53) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6257202 0.84 MAOA (0.48) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6210720 0.83 MAOA (0.55) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6210733 0.83 MAOA (0.55) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6239914 0.82 MAOA (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594865-A2 ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2005-11-16 — — EP disclosed
WO-2004069832-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-19 — — WO disclosed