SCHEMBL4697805

SCHEMBL4697805

NC(=NCCc1c[nH]c2ccccc12)NN=CCc1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.60
RAB9A P51151 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
RXFP3 Q9NSD7 2/20 0.53
LMNA P02545 1/20 0.53
ERAP1 Q9NZ08 1/20 0.50
HTR2A P28223 2/20 0.46
MPO P05164 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2A6 P11509 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46

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 0.83 ADORA2A (0.51) ADORA2ARAB9AMEN1KMT2AMAPT
SCHEMBL4700168 0.79 ADORA2A (0.47) ADORA2ARAB9AMEN1KMT2AMAPT
SCHEMBL2799588 0.78 MC5R (0.64) ADORA2ARAB9AMEN1KMT2AMAPT
SCHEMBL4700992 0.77 RXFP3 (0.66) ADORA2ARAB9AMEN1KMT2AMAPT
SCHEMBL9670836 0.77 FAAH (0.54) RAB9AMEN1KMT2AMAPTNPSR1
SCHEMBL4701665 0.73 ALDH1A1 (0.49) MAPTL3MBTL1SMN1; SMN2RXFP3LMNA
SCHEMBL4701255 0.73 RXFP3 (0.84) RAB9AMAPTRXFP3CYP1A2CYP3A4
SCHEMBL4699822 0.72 MAPT (0.63) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL25029869 0.72 MEN1 (0.56) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL578644 0.72 MEN1 (0.56) MEN1KMT2AMAPTSMN1; SMN2LMNA

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