SCHEMBL7796472

SCHEMBL7796472

CCOc1ccc2c(c1)C(=O)c1cccc(OCCC3CCCN3)c1-2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.41
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTPRC P08575 1/20 0.36
KCNA3 P22001 1/20 0.36

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
SCHEMBL7795713 0.97 MAPT (0.40) TTRMAPTL3MBTL1PTPRC
SCHEMBL7792423 0.94 CHRNB4 (0.38) TTRCHRNB4CHRNA3MAPTL3MBTL1
SCHEMBL7786141 0.93 MAPT (0.42) CHRNB4CHRNA3MAPTL3MBTL1KCNA3
SCHEMBL7792031 0.92 TTR (0.39) TTRMAPTL3MBTL1PTPRCKCNA3
SCHEMBL7786024 0.91 MAPT (0.40) MAPTL3MBTL1KCNA3
SCHEMBL7792117 0.91 CHRNB4 (0.44) CHRNB4CHRNA3KCNA3
SCHEMBL7786049 0.90 MAPT (0.44) MAPTL3MBTL1KCNA3
SCHEMBL7786404 0.90 KCNA3 (0.44) CHRNB4CHRNA3KCNA3
SCHEMBL7786316 0.89 CHRNB4 (0.42) TTRCHRNB4CHRNA3KCNA3
SCHEMBL7791970 0.89 TTR (0.39) TTRCHRNB4CHRNA3KCNA3

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-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed