SCHEMBL4699467

SCHEMBL4699467

Cn1nc(C=NNC(N)=NCCCCc2c[nH]c3ccccc23)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP3 Q9NSD7 1/20 0.45
ADORA2A P29274 2/20 0.45
RAB9A P51151 1/20 0.44
HTR1A P08908 6/20 0.43
HTR2C P28335 6/20 0.43
HTR1D P28221 4/20 0.43
PRMT5 O14744 1/20 0.42
HRH2 P25021 2/20 0.42
HRH4 Q9H3N8 2/20 0.42
MC3R P41968 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
DRD2 P14416 2/20 0.41
ADRA2B P18089 2/20 0.41
DRD4 P21917 2/20 0.41
HTR2A P28223 2/20 0.41
ADRA1A P35348 2/20 0.41
OPRM1 P35372 2/20 0.41
DRD3 P35462 2/20 0.41
HTR2B P41595 2/20 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
SCHEMBL4699425 0.88 RXFP3 (0.42) RXFP3ADORA2ARAB9AFAAHMEN1
SCHEMBL4700992 0.81 RXFP3 (0.66) RXFP3ADORA2ARAB9AHTR1AHTR2C
SCHEMBL4699037 0.78 ADORA2A (0.51) RXFP3ADORA2ARAB9AHTR1AHTR2C
SCHEMBL6025034 0.78 NPC1 (0.43) RAB9AFAAHMEN1KMT2AMAPT
SCHEMBL6026142 0.73 RXFP3 (0.53) RXFP3RAB9APTGS2MEN1KMT2A
SCHEMBL4697805 0.70 ADORA2A (0.60) RXFP3ADORA2ARAB9AHTR1AHTR2C
SCHEMBL4700168 0.69 ADORA2A (0.47) RXFP3ADORA2ARAB9AHTR1AHTR2C
SCHEMBL4700117 0.67 HTR1A (0.53) RXFP3ADORA2ARAB9AHTR1AHTR2C
SCHEMBL6026475 0.67 GPR84 (0.39) RAB9AMEN1KMT2AMAPTL3MBTL1
SCHEMBL4699822 0.67 MAPT (0.63) RXFP3RAB9APTGS2MEN1KMT2A

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