SCHEMBL7791964

SCHEMBL7791964

CCOc1cc(OCC)c2c(c1)C(=O)c1cccc(OC(C)C3CCCN3)c1-2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.39
PTPRC P08575 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
SLC6A2 P23975 4/20 0.33
SLC6A3 Q01959 4/20 0.33
SLC6A4 P31645 3/20 0.33
PDCD1LG2 Q9BQ51 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
GPR174 Q9BXC1 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
KCNA3 P22001 1/20 0.32

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
SCHEMBL7794729 0.97 TTR (0.38) TTRPTPRCHTR2AHTR2CHTR2B
SCHEMBL7791850 0.96 TTR (0.39) TTRPTPRCHTR2AHTR2CHTR2B
SCHEMBL7786155 0.94 TTR (0.36) TTRPTPRCHTR2AHTR2CHTR2B
SCHEMBL7792664 0.94 HTR2A (0.36) TTRPTPRCHTR2AHTR2CHTR2B
SCHEMBL7795942 0.94 SLC6A2 (0.38) TTRPTPRCHTR2AHTR2CHTR2B
SCHEMBL7786314 0.94 SLC6A2 (0.36) TTRPTPRCSLC6A2SLC6A3SLC6A4
SCHEMBL7795927 0.93 TTR (0.38) TTRPTPRCHTR2AHTR2CHTR2B
SCHEMBL7792133 0.92 TTR (0.36) TTRPTPRCHTR2AHTR2CHTR2B
SCHEMBL7794865 0.92 HTR2A (0.35) TTRPTPRCHTR2AHTR2CHTR2B
SCHEMBL7792329 0.92 SLC6A2 (0.40) TTRPTPRCSLC6A2SLC6A3SLC6A4

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