SCHEMBL4697190

SCHEMBL4697190

COc1ccc2[nH]c(C)c(CC=NNC(N)=NCCc3c(C)[nH]c4ccc(OC)cc34)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.55
HTR1D P28221 3/20 0.55
MTNR1A P48039 2/20 0.52
MTNR1B P49286 2/20 0.52
HTR1A P08908 3/20 0.50
HTR5A P47898 3/20 0.50
SLC6A2 P23975 2/20 0.50
HTR7 P34969 2/20 0.50
HTR1E P28566 1/20 0.50
RXFP3 Q9NSD7 3/20 0.49
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
DRD2 P14416 2/20 0.48
ADRA2B P18089 2/20 0.48
DRD4 P21917 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
ADRA1A P35348 2/20 0.48
OPRM1 P35372 2/20 0.48
DRD3 P35462 2/20 0.48

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
SCHEMBL4700117 0.83 HTR1A (0.53) HTR6HTR1DMTNR1AMTNR1BHTR1A
SCHEMBL4701665 0.83 ALDH1A1 (0.49) HTR6RXFP3MAPTHTTTDP1
SCHEMBL4701026 0.82 HTR1A (0.48) HTR6HTR1DMTNR1AMTNR1BHTR1A
SCHEMBL4699091 0.82 RXFP3 (0.64) HTR6HTR1DHTR1AHTR5ASLC6A2
SCHEMBL4231080 0.72 HTR1D (0.74) HTR6HTR1DMTNR1AMTNR1BHTR1A
SCHEMBL4244966 0.72 HTR1D (1.00) HTR6HTR1DMTNR1AMTNR1BHTR1A
SCHEMBL23602327 0.71 HTR1D (0.63) HTR6HTR1DMTNR1AMTNR1BHTR1A
Hydrochloric Acid SCHEMBL7433474 0.71 HTR1D (0.97) HTR6HTR1DMTNR1AMTNR1BHTR1A
SCHEMBL7350243 0.71 AKR1C2 (0.64) HTR6HTR1DMTNR1AMTNR1BHTR1A
SCHEMBL8555235 0.71 HTR1D (0.76) HTR6HTR1DMTNR1AMTNR1BHTR1A

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
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