SCHEMBL7792607

SCHEMBL7792607

CCOc1ccc(OCCCC2CCNC2)c2c1-c1c(OCCCC3CCNC3)cccc1C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.42
HTR2B P41595 3/20 0.42
HTR2C P28335 3/20 0.42
TTR P02766 1/20 0.39
KCNA3 P22001 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA1A P35348 1/20 0.37
NPY1R P25929 7/20 0.36
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL7796210 0.94 HTR2A (0.44) HTR2AHTR2BHTR2CTTRKCNA3
SCHEMBL7792794 0.94 NPY1R (0.41) HTR2AHTR2BHTR2CTTRKCNA3
SCHEMBL7786436 0.94 HTR2A (0.45) HTR2AHTR2BHTR2CKCNA3NPY1R
SCHEMBL7794753 0.94 HTR2A (0.41) HTR2AHTR2BHTR2CKCNA3SLC6A4
SCHEMBL7792232 0.91 MEN1 (0.42) HTR2AHTR2BHTR2CKCNA3NPY1R
SCHEMBL7794789 0.89 HTR2A (0.38) HTR2AHTR2BHTR2CTTRKCNA3
SCHEMBL7795892 0.88 HTR2A (0.43) HTR2AHTR2BHTR2CTTRKCNA3
SCHEMBL7792363 0.88 HTR2A (0.47) HTR2AHTR2BHTR2CTTRKCNA3
SCHEMBL7791763 0.88 ELANE (0.44) HTR2AHTR2BHTR2CKCNA3NPY1R
SCHEMBL7792350 0.87 HTR2A (0.44) 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 4 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
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed