SCHEMBL1970776

SCHEMBL1970776

CC(CCl)OC(Br)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
TAAR1 Q96RJ0 4/20 0.38
HRH1 P35367 2/20 0.34
CACNA1F O60840 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
ADRA2B P18089 1/20 0.34
CHRM3 P20309 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRK1 P41145 1/20 0.34
CACNA1D Q01668 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
AOC3 Q16853 2/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL8362086 0.76 CES2 (0.44) MAPK1TAAR1HRH1SLC6A3TSHR
SCHEMBL28495047 0.75 HCAR2 (0.39) TAAR1HRH1CACNA1FCHRM2CHRM1
SCHEMBL11145431 0.69 MAPK1 (0.44) MAPK1TAAR1SLC6A3TRPA1
SCHEMBL3126772 0.69 TAAR1 (0.61) TAAR1HRH1CHRM2ADRA1ASLC6A3
SCHEMBL3925766 0.69 CES2 (0.38) TAAR1TSHRTRPA1CES2CES1
SCHEMBL6478846 0.68 SCN1A (0.36) MAPK1TAAR1HRH1CHRM2CHRM1
SCHEMBL2736711 0.68 TAAR1 (0.58) TAAR1HRH1AOC3TSHRLMNA
SCHEMBL6583604 0.68 TAAR1 (0.58) TAAR1HRH1AOC3TSHRLMNA
SCHEMBL2220602 0.68 KMT2A (0.41) TAAR1HRH1TSHRLMNAALDH1A1
SCHEMBL8160126 0.68 TSHR (0.43) TAAR1HRH1TSHRLMNATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509956-A1 CYSTEINE PROTEASE INHIBITORS Medivir UK Ltd (GB) 2012-10-17 EP disclosed
WO-2011070539-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2011-06-16 WO disclosed
WO-1994019023-A1 CYCLOBUTYL ANTISENSE OLIGONUCLEOTIDES, METHODS OF MAKING AND USE THEREOF ISIS PHARMACEUTICALS, INC. (US) 1994-09-01 WO disclosed