SCHEMBL6967491

SCHEMBL6967491

BrCC=C1c2ccccc2COc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.62
HTR2B P41595 5/20 0.62
KCNH2 Q12809 2/20 0.62
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 2/20 0.62
LMNA P02545 2/20 0.62
SLC22A1 O15245 1/20 0.62
CHRM2 P08172 1/20 0.62
CHRM4 P08173 1/20 0.62
HTR1A P08908 1/20 0.62
CHRM5 P08912 1/20 0.62
ADRA2A P08913 1/20 0.62
CHRM1 P11229 1/20 0.62
DRD2 P14416 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
CHRM3 P20309 1/20 0.62
DRD1 P21728 1/20 0.62
DRD4 P21917 1/20 0.62
DRD5 P21918 1/20 0.62

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
SCHEMBL6967485 1.00 HRH1 (0.62) HRH1HTR2BKCNH2ALDH1A1KMT2A
SCHEMBL652162 0.87 HTR2B (0.68) HRH1HTR2BKCNH2ALDH1A1KMT2A
SCHEMBL13051513 0.87 HTR2B (0.68) HRH1HTR2BKCNH2ALDH1A1KMT2A
SCHEMBL652161 0.87 HTR2B (0.68) HRH1HTR2BKCNH2ALDH1A1KMT2A
SCHEMBL6738335 0.84 TSHR (0.50) HRH1HTR2BKCNH2ALDH1A1KMT2A
SCHEMBL8506362 0.83 HRH1 (0.62) HRH1HTR2BKCNH2ALDH1A1KMT2A
SCHEMBL8506363 0.83 HRH1 (0.62) HRH1HTR2BKCNH2ALDH1A1KMT2A
SCHEMBL19602917 0.83 HRH1 (0.67) HRH1HTR2BKCNH2ALDH1A1KMT2A
SCHEMBL4999010 0.81 HTR2B (0.55) HRH1HTR2BKCNH2ALDH1A1KMT2A
SCHEMBL4999007 0.81 HTR2B (0.55) HRH1HTR2BKCNH2ALDH1A1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934313-B1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK AS (DK) 2003-05-14 EP disclosed
US-6004983-A ANALGESICS; ANTIINFLAMMATORY, ANTIARTHRITIC AND ANTIDIABETIC AGENTS NOVO NORDISK A/S (DE) 1999-12-21 US disclosed
EP-0934313-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1999-08-11 EP disclosed
EP-0869777-A1 NOVEL METHOD NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed
WO-1998015549-A1 N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1998-04-16 WO disclosed
WO-1997022338-A1 NOVEL METHOD NOVO NORDISK A/S (DK) 1997-06-26 WO disclosed