SCHEMBL4699425

SCHEMBL4699425

Cn1nc(C=NNC(N)=NCc2c[nH]c3ccccc23)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP3 Q9NSD7 1/20 0.42
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.39
GAA P10253 3/20 0.39
ADORA2A P29274 2/20 0.39
KDM4E B2RXH2 2/20 0.39
FAAH O00519 1/20 0.39
GLA P06280 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 4/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4699467 0.88 RXFP3 (0.45) RXFP3MAPTALDH1A1ADORA2AKDM4E
SCHEMBL6025034 0.81 NPC1 (0.43) MAPTALDH1A1GAAKDM4EFAAH
SCHEMBL6026142 0.80 RXFP3 (0.53) RXFP3MAPTALDH1A1GAAKDM4E
SCHEMBL4699822 0.79 MAPT (0.63) RXFP3MAPTALDH1A1GAAKDM4E
SCHEMBL4700168 0.72 ADORA2A (0.47) RXFP3MAPTALDH1A1GAAADORA2A
SCHEMBL6026475 0.70 GPR84 (0.39) MAPTALDH1A1GAAKDM4ECYP1A2
SCHEMBL6026134 0.67 MEN1 (0.50) MAPTALDH1A1GAAKDM4ECYP1A2
SCHEMBL4700992 0.66 RXFP3 (0.66) RXFP3MAPTALDH1A1GAAADORA2A
SCHEMBL22193942 0.65 MEN1 (0.56) MAPTALDH1A1GAAKDM4ECYP1A2
SCHEMBL4697805 0.65 ADORA2A (0.60) RXFP3MAPTALDH1A1GAAADORA2A

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