SCHEMBL16638726

SCHEMBL16638726

Cc1ccc2c(c1)c1c(n2CC(N)c2ccncc2)CCNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.46
SIRT1 Q96EB6 3/20 0.45
HRH1 P35367 4/20 0.44
HTR6 P50406 3/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.39
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HSD17B10 Q99714 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
SCHEMBL12480649 0.88 SIRT2 (0.47) SIRT2SIRT1HRH1HTR6MEN1
SCHEMBL16638407 0.85 KMT2A (0.55) HRH1HTR6MEN1KMT2ALMNA
SCHEMBL13833888 0.84 SIRT2 (0.37) SIRT2SIRT1HRH1HTR6CYP3A4
SCHEMBL12480287 0.82 HRH1 (0.57) HRH1HTR6MEN1KMT2AGRIN2D
SCHEMBL12480635 0.81 HRH1 (0.67) HRH1HTR6GRIN2DGRIN3BGRIN1
SCHEMBL16900206 0.80 KMT2A (0.45) SIRT2HRH1HTR6MEN1KMT2A
SCHEMBL8037324 0.80 HRH1 (0.68) SIRT2SIRT1HRH1HTR6GRIN1
SCHEMBL12480779 0.79 HRH1 (0.56) HRH1HTR6MEN1KMT2AGRIN2D
SCHEMBL12480358 0.79 SIRT2 (0.46) SIRT2SIRT1HRH1HTR6MEN1
SCHEMBL8041279 0.78 SIRT2 (0.51) SIRT2SIRT1HRH1HTR6MEN1

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-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed