SCHEMBL4700992

SCHEMBL4700992

NC(=NCCCCc1c[nH]c2ccccc12)NN=Cc1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP3 Q9NSD7 6/20 0.66
HTR1A P08908 6/20 0.58
HTR2C P28335 6/20 0.58
HTR1D P28221 4/20 0.58
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
PRMT5 O14744 1/20 0.56
ADRB1 P08588 2/20 0.55
ADRB3 P13945 2/20 0.55
DRD2 P14416 2/20 0.55
ADRA2B P18089 2/20 0.55
DRD4 P21917 2/20 0.55
HTR2A P28223 2/20 0.55
ADRA1A P35348 2/20 0.55
OPRM1 P35372 2/20 0.55
DRD3 P35462 2/20 0.55
HTR2B P41595 2/20 0.55
HTR3A P46098 2/20 0.55

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
SCHEMBL4699037 0.86 ADORA2A (0.51) RXFP3HTR1AHTR2CHTR1DMAPT
SCHEMBL4699822 0.85 MAPT (0.63) RXFP3GAAMAPTCYP1A2CYP3A4
SCHEMBL4701255 0.83 RXFP3 (0.84) RXFP3HTR1AHTR2CHTR1DGAA
SCHEMBL4699467 0.81 RXFP3 (0.45) RXFP3HTR1AHTR2CHTR1DMAPT
SCHEMBL4697805 0.77 ADORA2A (0.60) RXFP3HTR1AHTR2CHTR1DGAA
SCHEMBL4700168 0.76 ADORA2A (0.47) RXFP3HTR1AHTR2CHTR1DGAA
SCHEMBL4698350 0.74 MAPT (0.67) RXFP3GAAMAPTCYP1A2CYP3A4
SCHEMBL7623120 0.73 MAPT (0.74) GAAMAPTCYP1A2CYP3A4PTGS2
SCHEMBL4332218 0.73 MAPT (1.00) GAAMAPTCYP1A2CYP3A4PTGS2
SCHEMBL8257172 0.73 MAPT (0.74) GAAMAPTCYP1A2CYP3A4PTGS2

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