SCHEMBL6131792

SCHEMBL6131792

COc1cc(Br)c(CBr)cc1O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
ALOX12 P18054 2/20 0.44
TRPV1 Q8NER1 1/20 0.43
HTR2A P28223 5/20 0.42
TAAR1 Q96RJ0 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 1/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL19317498 0.85 TRPV1 (0.49) TRPV1CA12CA1CA2CA9
SCHEMBL2294326 0.84 HTR2A (0.52) HTR2ATAAR1CA12CA1CA2
SCHEMBL29758521 0.84 HTR2A (0.52) HTR2ATAAR1CA12CA1CA2
SCHEMBL14416271 0.81 HMGCR (0.58) TRPV1HTR2ATAAR1ALOX5PTGS2
SCHEMBL5351939 0.80 TAAR1 (0.62) ALOX15HTR2ATAAR1HTR2C
SCHEMBL1096991 0.79 GAA (0.53) TRPV1CA12CA1CA2CA9
SCHEMBL1096417 0.78 MTNR1A (0.49) TRPV1CA12CA1CA2CA9
SCHEMBL17169780 0.77 ALOX5 (0.48) ALOX15ALOX12ALOX5PTGS2
SCHEMBL19361333 0.77 ALOX5 (0.48) HTR2ATAAR1ALOX5PTGS2HTR2C
SCHEMBL18475740 0.77 TRPV1 (0.49) ALOX15ALOX12TRPV1HTR2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102399231-A Preparation method of galanthamine BIOCOMPOUNDS PHARMACEUTICAL INC 2012-04-04 CN disclosed
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP disclosed
US-6479495-B1 SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP disclosed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO disclosed