SCHEMBL5502785

SCHEMBL5502785

N#CC(C#N)=CN(CCCN1CCCCC1)NCCN1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.38
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.36
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 1/20 0.32

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
SCHEMBL8095285 0.63 HRH3 (0.39) HRH3CA12CA1CA2CA9
SCHEMBL4386534 0.63 CA12 (0.44) HRH3MAPTCA12CA1CA2
SCHEMBL4385695 0.62 HRH3 (0.45) HRH3MAPTCA12CA1CA2
SCHEMBL13397351 0.61 HRH3 (0.50) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL5910804 0.61 HRH3 (0.62) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL19441786 0.60 CARM1 (0.39) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL13397474 0.59 HRH3 (0.46) HRH3CYP2C19MAPTCYP1A2MAPK1
SCHEMBL5910757 0.59 HRH3 (0.57) HRH3MAPTCYP1A2MAPK1SMN1; SMN2
SCHEMBL20333472 0.58 HRH3 (0.56) HRH3CYP1A2MAPK1SMN1; SMN2
SCHEMBL154378 0.58 MAPT (0.83) HRH3MAPTCYP1A2MAPK1SMN1; SMN2

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
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed