SCHEMBL13939683

SCHEMBL13939683

CC(=O)NC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2F)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PCSK9 Q8NBP7 2/20 0.55
▸ DPP4 P27487 6/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ TSHR P16473 4/20 0.48
▸ MAPT P10636 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ATM Q13315 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAOB P27338 3/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ THRB P10828 1/20 0.43

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
SCHEMBL13939299 0.92 MAOB (0.55) PCSK9DPP4ALDH1A1TSHRMAPT
SCHEMBL13939665 0.87 DPP4 (0.51) PCSK9DPP4ALDH1A1TSHRMAPT
SCHEMBL13939514 0.84 DPP4 (0.49) PCSK9DPP4ALDH1A1TSHRMAPT
SCHEMBL13939679 0.84 PCSK9 (0.56) PCSK9DPP4ALDH1A1TSHRMAPT
SCHEMBL13938272 0.83 MAOB (0.54) DPP4ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL13939684 0.83 ALDH1A1 (0.53) DPP4ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL13939669 0.83 DPP4 (0.52) DPP4ALDH1A1TSHRMAPTLMNA
SCHEMBL13939649 0.81 SMN1; SMN2 (0.58) DPP4ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL13939282 0.80 ALDH1A1 (0.64) PCSK9ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL13939498 0.77 DPP4 (0.50) PCSK9DPP4ALDH1A1TSHRMAPT

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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