SCHEMBL13939299

SCHEMBL13939299

CC(=O)NC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2Cl)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.55
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ DPP4 P27487 7/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ TSHR P16473 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ CYP2C9 P11712 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PCSK9 Q8NBP7 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RIN1 Q13671 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL13939683 0.92 PCSK9 (0.55) MAOBDPP4L3MBTL1ALDH1A1TSHR
SCHEMBL13939679 0.87 PCSK9 (0.56) CYP3A4CYP2C19DPP4L3MBTL1KMT2A
SCHEMBL13938272 0.87 MAOB (0.54) MAOBCYP3A4CYP2C19DPP4L3MBTL1
SCHEMBL13939665 0.86 DPP4 (0.51) DPP4L3MBTL1KMT2AALDH1A1TSHR
SCHEMBL13939649 0.85 SMN1; SMN2 (0.58) MAOBCYP3A4CYP2C19DPP4KMT2A
SCHEMBL13939514 0.83 DPP4 (0.49) DPP4L3MBTL1KMT2AALDH1A1TSHR
SCHEMBL13938894 0.82 MAOB (0.55) MAOBCYP3A4CYP2C19DPP4L3MBTL1
SCHEMBL13939684 0.82 ALDH1A1 (0.53) CYP3A4CYP2C19DPP4L3MBTL1KMT2A
SCHEMBL13939669 0.81 DPP4 (0.52) DPP4L3MBTL1KMT2AALDH1A1TSHR
SCHEMBL13938451 0.81 MAOB (0.68) MAOBCYP3A4CYP2C19DPP4L3MBTL1

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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