SCHEMBL7794782

SCHEMBL7794782

CCOc1cc(OCCCC2CCNC2)cc2c1-c1c(OCCCC3CCNC3)cccc1C2=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.41
HTR2A P28223 3/20 0.39
HTR2B P41595 3/20 0.39
HTR2C P28335 2/20 0.39
TTR P02766 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
NPY1R P25929 6/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ADRB2 P07550 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA1A P35348 1/20 0.34
PTPRC P08575 1/20 0.34

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
SCHEMBL7786173 0.98 HTR2A (0.39) KCNA3HTR2AHTR2BHTR2CTTR
SCHEMBL7786088 0.94 NPY1R (0.40) KCNA3HTR2AHTR2BHTR2CTTR
SCHEMBL7786238 0.94 HTR2A (0.42) KCNA3HTR2AHTR2BHTR2CITGB3
SCHEMBL7792449 0.94 KCNA3 (0.41) KCNA3HTR2AHTR2BHTR2CITGB3
SCHEMBL7786391 0.94 HTR2A (0.42) KCNA3HTR2AHTR2BHTR2CITGB3
SCHEMBL7792139 0.92 ACP1 (0.41) KCNA3HTR2AHTR2BHTR2CTTR
SCHEMBL7796210 0.92 HTR2A (0.44) KCNA3HTR2AHTR2BHTR2CTTR
SCHEMBL7786255 0.91 KCNA3 (0.41) KCNA3HTR2AHTR2BHTR2CITGB3
SCHEMBL7786481 0.89 HTR2A (0.41) KCNA3HTR2AHTR2BHTR2CNPY1R
SCHEMBL7795714 0.89 NPY1R (0.42) KCNA3NPY1R

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