SCHEMBL13939679

SCHEMBL13939679

CC(=O)NC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Cl)c2F)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 1/20 0.56
▸ DPP4 P27487 7/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ ALDH1A1 P00352 9/20 0.50
▸ TSHR P16473 4/20 0.50
▸ NPSR1 Q6W5P4 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PKM P14618 1/20 0.47

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
SCHEMBL13939514 0.91 DPP4 (0.49) PCSK9DPP4L3MBTL1ALDH1A1TSHR
SCHEMBL13939299 0.87 MAOB (0.55) PCSK9DPP4L3MBTL1ALDH1A1TSHR
SCHEMBL13938272 0.85 MAOB (0.54) DPP4L3MBTL1ALDH1A1TSHRNPSR1
SCHEMBL13939684 0.85 ALDH1A1 (0.53) DPP4L3MBTL1ALDH1A1TSHRNPSR1
SCHEMBL13939683 0.84 PCSK9 (0.55) PCSK9DPP4L3MBTL1ALDH1A1TSHR
SCHEMBL13939649 0.83 SMN1; SMN2 (0.58) DPP4ALDH1A1TSHRNPSR1MAPT
SCHEMBL13939665 0.82 DPP4 (0.51) PCSK9DPP4L3MBTL1ALDH1A1TSHR
SCHEMBL13923425 0.81 ALDH1A1 (0.54) DPP4ALDH1A1TSHRNPSR1MAPT
SCHEMBL13939666 0.80 DPP4 (0.65) PCSK9DPP4L3MBTL1ALDH1A1TSHR
SCHEMBL13939669 0.80 DPP4 (0.52) DPP4L3MBTL1ALDH1A1TSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495004-B2 Purine derivatives as liver X receptor agonists GLAXO GROUP LIMITED (GB) 2009-02-24 — — US disclosed
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