SCHEMBL7794789

SCHEMBL7794789

CCOc1cc(OCCCC2CCNC2)c(N)c2c1-c1c(OCCCC3CCNC3)cccc1C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.38
HTR2B P41595 3/20 0.38
HTR2C P28335 3/20 0.38
TTR P02766 1/20 0.37
P2RY2 P41231 1/20 0.35
KCNA3 P22001 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
IKBKB O14920 4/20 0.34
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1A P35348 1/20 0.33
NPY1R P25929 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PTPRC P08575 1/20 0.33
ACP1 P24666 1/20 0.33
AVPR2 P30518 1/20 0.33

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
SCHEMBL7792438 0.94 ACP1 (0.38) HTR2AHTR2BHTR2CTTRSLC6A2
SCHEMBL7792367 0.94 HTR2A (0.41) HTR2AHTR2BHTR2CKCNA3IKBKB
SCHEMBL7792686 0.94 IKBKB (0.38) HTR2AHTR2BHTR2CKCNA3IKBKB
SCHEMBL7792073 0.91 KCNA3 (0.35) HTR2AHTR2BHTR2CKCNA3HTR1A
SCHEMBL7792607 0.89 HTR2A (0.42) HTR2AHTR2BHTR2CTTRKCNA3
SCHEMBL7794774 0.89 TLR7 (0.42) HTR2AHTR2BHTR2CIKBKBNPY1R
SCHEMBL7792007 0.89 IKBKB (0.40) HTR2AHTR2BHTR2CIKBKBNPY1R
SCHEMBL7796210 0.88 HTR2A (0.44) HTR2AHTR2BHTR2CTTRKCNA3
SCHEMBL7795703 0.86 ACP1 (0.40) NPY1RACP1
SCHEMBL7786173 0.85 HTR2A (0.39) HTR2AHTR2BHTR2CTTRKCNA3

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