SCHEMBL4697181

SCHEMBL4697181

NC(=NCCc1ccccc1)NN=Cc1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP3 Q9NSD7 13/20 0.52
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2B Q13224 2/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
LMNA P02545 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2B P18089 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL4701255 0.77 RXFP3 (0.84) RXFP3MAPTGAACYP1A2CYP3A4
SCHEMBL4698608 0.76 MAPT (0.54) MAPTGAAGRIN1GRIN2BALDH1A1
SCHEMBL4698450 0.75 MAPT (0.55) MAPTGAAGRIN1GRIN2BALDH1A1
SCHEMBL4697178 0.74 MEN1 (0.53) MAPTALDH1A1CYP1A2POLBCYP3A4
SCHEMBL4697179 0.74 MEN1 (0.53) MAPTALDH1A1CYP1A2POLBCYP3A4
SCHEMBL4701015 0.73 KMT2A (0.61) RXFP3GAAALDH1A1CYP1A2POLB
SCHEMBL7748696 0.72 MAPT (0.55) MAPTGAAALDH1A1CYP1A2POLB
SCHEMBL21538104 0.72 KMT2A (0.64) MAPTGAAALDH1A1CYP1A2POLB
SCHEMBL7748700 0.72 MAPT (0.55) MAPTGAAALDH1A1CYP1A2POLB
SCHEMBL31105723 0.72 MAPT (0.55) MAPTGAAALDH1A1CYP1A2POLB

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-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP claimed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US claimed
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP disclosed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US disclosed