SCHEMBL4744550

SCHEMBL4744550

Cn1c2nc(=O)n(CCCN3CCCC3)c(=O)c-2nc2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.47
GSR P00390 4/20 0.44
NPY1R P25929 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNH2 Q12809 1/20 0.39
MC4R P32245 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL4746291 0.92 TMEM97 (0.49) TMEM97GSRNPY1RTDP1KCNH2
SCHEMBL4748253 0.86 GSR (0.48) TMEM97GSRNPY1RMC4RHTR1A
SCHEMBL4748220 0.85 GSR (0.48) TMEM97GSRKCNH2MC4RHTR1A
SCHEMBL4747565 0.85 GSR (0.48) TMEM97GSRHTR1AHTR7KDM4E
SCHEMBL4744199 0.85 KCNH2 (0.48) TMEM97GSRNPY1RTDP1KCNH2
SCHEMBL4747148 0.84 HRH3 (0.39) MC4R
SCHEMBL4747828 0.83 GSR (0.45) GSRKDM4EALDH1A1HPGD
SCHEMBL4744200 0.78 GSR (0.46) GSRHTR1AHTR7KDM4EALDH1A1
SCHEMBL4743800 0.76 HRH3 (0.38) MC4R
SCHEMBL4743759 0.75 MPO (0.43) GSRKDM4EALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008114009-A1 10H-BENZO(G)PTERDINE-2,4-DIONE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-09-25 WO disclosed
WO-2008114009-A1 10H-BENZO(G)PTERDINE-2,4-DIONE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-09-25 WO disclosed