SCHEMBL7796210

SCHEMBL7796210

CCOc1cccc2c1-c1c(OCCCC3CCNC3)cccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.44
HTR2B P41595 3/20 0.44
HTR2C P28335 3/20 0.44
KCNA3 P22001 1/20 0.41
TTR P02766 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39
NPY1R P25929 6/20 0.38
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37
PTPRC P08575 1/20 0.36
ELANE P08246 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
SCHEMBL7792607 0.94 HTR2A (0.42) HTR2AHTR2BHTR2CKCNA3TTR
SCHEMBL7795892 0.93 HTR2A (0.43) HTR2AHTR2BHTR2CKCNA3TTR
SCHEMBL7791763 0.93 ELANE (0.44) HTR2AHTR2BHTR2CKCNA3NPY1R
SCHEMBL7792363 0.93 HTR2A (0.47) HTR2AHTR2BHTR2CKCNA3TTR
SCHEMBL7794782 0.92 KCNA3 (0.41) HTR2AHTR2BHTR2CKCNA3TTR
SCHEMBL7786173 0.92 HTR2A (0.39) HTR2AHTR2BHTR2CKCNA3TTR
SCHEMBL7791994 0.89 TTR (0.40) HTR2AHTR2BHTR2CKCNA3TTR
SCHEMBL7792794 0.88 NPY1R (0.41) HTR2AHTR2BHTR2CKCNA3TTR
SCHEMBL7794789 0.88 HTR2A (0.38) HTR2AHTR2BHTR2CKCNA3TTR
SCHEMBL7786436 0.88 HTR2A (0.45) HTR2AHTR2BHTR2CKCNA3NPY1R

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