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SCHEMBL4744753

SCHEMBL4744753

CN(C)c1ccc(-n2c3nc(=O)n(CCCN4CCCC4)c(=O)c-3nc3ccc(NCCCN4CCCC4)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 1/20 0.40
▸ GSR P00390 3/20 0.40
▸ TERT O14746 7/20 0.38
▸ HRH3 Q9Y5N1 5/20 0.37
▸ KCNH2 Q12809 4/20 0.37
▸ MC4R P32245 1/20 0.35
▸ POT1 Q9NUX5 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35

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
SCHEMBL4743769 0.93 LCK (0.41) GSRMC4R
SCHEMBL14069128 0.89 MC4R (0.41) GSRHRH3KCNH2MC4RMCHR1
SCHEMBL4748222 0.89 HRH3 (0.47) ACP1GSRHRH3KCNH2MC4R
SCHEMBL4744848 0.89 GSR (0.40) GSRHRH3KCNH2MC4RMCHR1
SCHEMBL4748220 0.87 GSR (0.48) GSRHRH3KCNH2MC4R
SCHEMBL4743742 0.87 GSR (0.42) GSR
SCHEMBL4747148 0.86 HRH3 (0.39) ACP1HRH3MC4R
SCHEMBL4743800 0.84 HRH3 (0.38) ACP1HRH3MC4R
SCHEMBL4744200 0.80 GSR (0.46) GSRMCHR1
SCHEMBL4743737 0.79 GSR (0.48) GSR

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